# Chemical shift table # # HEAD: N H CA CA-1 # FORMAT: PR_ID N H CA CA-1 ... # # Inter and intra chemical shfits type format # 'CA', 'CA-1', 'CB', 'CB-1', 'CO', 'CO-1', 'HA', 'HA-1', 'H' and 'N' # # The PR_ID means pseudo residue number. # 37, g01, g135, K016, LLR001,g12?, 124D and so on can be used for PR_ID N CO-1 H CA-1 CA 2 123.220 170.540 8.900 54.450 55.080 3 115.340 175.920 8.320 55.080 59.570 4 118.110 172.450 8.610 59.570 55.210 5 121.000 175.320 9.300 55.210 60.620 6 127.520 174.870 8.820 60.620 54.520 7 115.400 177.140 8.730 54.520 60.470 8 121.330 176.910 9.100 60.470 57.580 9 105.590 178.800 7.630 57.580 61.400 10 108.890 175.520 7.810 61.400 45.460 11 121.600 174.070 7.280 45.460 56.280 12 120.440 175.940 8.650 56.280 62.390 13 127.110 174.320 9.450 62.390 59.980 14 121.520 175.220 8.710 59.980 61.940 15 124.800 173.790 8.710 61.940 52.830 16 122.160 174.670 8.140 52.830 54.820 17 117.210 175.860 8.900 54.820 58.430 18 118.990 174.160 8.640 58.430 52.720 20 103.400 175.310 7.040 65.470 57.400 21 123.480 174.660 8.030 57.400 55.700 22 108.800 176.360 7.900 55.700 59.690 23 121.190 176.750 8.560 59.690 62.260 24 120.830 179.040 9.760 62.260 60.220 25 120.570 178.640 7.920 60.220 56.060 26 121.710 178.380 8.070 56.060 67.660 27 118.860 177.950 8.560 67.660 59.250 28 123.440 180.550 8.060 59.250 55.370 29 119.940 180.300 7.850 55.370 59.650 30 121.080 180.320 8.280 59.650 66.150 31 123.490 178.310 8.580 66.150 60.000 32 119.360 178.890 8.010 60.000 57.190 33 115.130 177.250 7.430 57.190 58.050 34 113.870 177.870 8.740 58.050 55.170 35 108.650 177.840 8.530 55.170 46.080 36 119.880 173.960 6.150 46.080 57.750 39 113.380 178.320 8.550 66.260 55.640 40 116.780 177.090 7.820 55.640 55.640 41 117.720 175.380 7.480 55.640 56.470 42 122.680 176.300 8.530 56.470 55.050 43 124.040 174.050 8.820 55.050 52.980 44 121.920 175.290 9.030 52.980 58.980 45 125.390 176.060 8.830 58.980 57.020 46 132.200 174.470 8.810 57.020 52.540 47 102.340 177.290 8.130 52.540 45.350 48 121.570 173.810 7.980 45.350 54.550 49 122.410 174.700 8.600 54.550 55.740 50 125.520 175.670 8.530 55.740 54.240 51 122.940 176.660 8.400 54.240 55.960 52 120.030 175.870 8.160 55.960 56.960 53 106.660 177.330 9.390 56.960 45.170 54 119.050 174.870 7.460 45.170 54.390 55 108.400 175.350 8.730 54.390 59.690 56 117.920 176.560 8.140 59.690 58.710 57 113.330 180.810 8.470 58.710 61.080 58 124.190 178.310 7.930 61.080 57.180 59 115.510 177.400 7.250 57.180 58.250 60 115.900 174.700 8.150 58.250 54.120 61 118.600 174.340 7.250 54.120 62.420 62 124.740 174.610 7.610 62.420 53.660 63 120.300 175.970 8.490 53.660 57.790 64 113.950 175.810 9.280 57.790 57.890 65 114.730 175.250 7.670 57.890 60.890 66 117.110 172.160 8.730 60.890 62.340 67 127.110 173.950 9.410 62.340 53.900 68 118.380 175.770 9.230 53.900 55.000 69 124.460 173.150 8.340 55.000 53.890 70 126.940 175.270 9.200 53.890 60.800 71 123.130 174.000 8.120 60.800 53.940 72 123.490 177.830 8.580 53.940 55.610 73 124.220 175.350 8.320 55.610 54.930 74 121.450 177.450 8.390 54.930 56.460 75 110.780 176.870 8.450 56.460 45.350 76 114.680 173.680 7.920 45.350 46.100