NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
1577 | 1aps | 329 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Raw file had 221 H/Q atoms Start of MODEL 1 1 1H SER 1 H1 SER 1 13.470 8.610 -13.210 2 2H SER 1 H2 SER 1 14.870 8.780 -14.010 3 3H SER 1 H3 SER 1 13.560 9.680 -14.440 4 HG SER 1 HG SER 1 15.840 7.720 -15.790 5 H THR 2 H THR 2 12.950 5.600 -16.270 6 HG1 THR 2 HG1 THR 2 13.430 3.230 -18.390 7 H ALA 3 H ALA 3 15.720 4.710 -16.100 8 NH1 ARG 4 NH2 ARG 4 18.010 8.020 -15.060 9 NH2 ARG 4 NH1 ARG 4 16.650 9.720 -14.340 10 H ARG 4 H ARG 4 16.080 4.870 -13.180 11 HE ARG 4 HE ARG 4 17.300 8.980 -12.070 12 1HH1 ARG 4 HH2 ARG 4 18.680 7.310 -14.850 13 2HH1 ARG 4 HH2 ARG 4 17.850 8.290 -16.010 14 1HH2 ARG 4 HH1 ARG 4 16.340 10.320 -13.610 15 2HH2 ARG 4 HH1 ARG 4 16.490 9.970 -15.300 16 H LEU 6 H LEU 6 14.150 3.350 -9.180 17 H LYS 7 H LYS 7 11.210 2.490 -6.340 18 1HZ LYS 7 HZ1 LYS 7 9.210 -3.800 -9.870 19 2HZ LYS 7 HZ2 LYS 7 7.640 -3.620 -9.490 20 3HZ LYS 7 HZ3 LYS 7 8.100 -3.780 -11.060 21 H SER 8 H SER 8 8.280 4.040 -8.860 22 HG SER 8 HG SER 8 6.550 5.130 -9.990 23 H VAL 9 H VAL 9 5.350 2.750 -6.150 24 H ASP 10 H ASP 10 1.610 1.060 -7.810 25 OH TYR 11 OH TYR 11 -1.850 3.810 0.970 26 H TYR 11 H TYR 11 -1.100 1.740 -4.330 27 HH TYR 11 HH TYR 11 -1.280 4.590 0.690 28 H GLU 12 H GLU 12 -3.670 -1.910 -3.820 29 H VAL 13 H VAL 13 -6.060 -0.560 -0.910 30 H PHE 14 H PHE 14 -8.370 -4.260 -0.260 31 H GLY 15 H GLY 15 -10.760 -1.700 0.820 32 NH1 ARG 16 NH2 ARG 16 -12.170 -7.900 0.400 33 NH2 ARG 16 NH1 ARG 16 -13.140 -9.100 -1.270 34 H ARG 16 H ARG 16 -13.820 -3.850 1.500 35 HE ARG 16 HE ARG 16 -14.840 -7.280 -1.280 36 1HH1 ARG 16 HH2 ARG 16 -12.080 -7.030 0.890 37 2HH1 ARG 16 HH2 ARG 16 -11.450 -8.590 0.470 38 1HH2 ARG 16 HH1 ARG 16 -13.820 -9.210 -2.000 39 2HH2 ARG 16 HH1 ARG 16 -12.380 -9.760 -1.190 40 H VAL 17 H VAL 17 -16.460 -2.570 3.320 41 H GLN 18 H GLN 18 -15.450 0.520 3.130 42 1HE2 GLN 18 HE2 GLN 18 -15.600 7.070 4.790 43 2HE2 GLN 18 HE2 GLN 18 -16.020 6.050 3.430 44 H GLY 19 H GLY 19 -14.480 1.940 7.460 45 H VAL 20 H VAL 20 -11.950 -0.160 6.620 46 H CYS 21 H CYS 21 -8.720 -0.140 9.450 47 HG CYS 21 HG CYS 21 -10.370 1.330 10.880 48 H PHE 22 H PHE 22 -6.660 2.020 7.610 49 NH1 ARG 23 NH1 ARG 23 -5.380 10.220 8.320 50 NH2 ARG 23 NH2 ARG 23 -3.630 10.570 9.760 51 H ARG 23 H ARG 23 -5.130 3.970 8.380 52 HE ARG 23 HE ARG 23 -2.660 8.530 8.730 53 1HH1 ARG 23 HH1 ARG 23 -5.910 9.600 7.740 54 2HH1 ARG 23 HH1 ARG 23 -5.770 11.090 8.610 55 1HH2 ARG 23 HH2 ARG 23 -2.810 10.250 10.240 56 2HH2 ARG 23 HH2 ARG 23 -4.070 11.430 10.030 57 H MET 24 H MET 24 -1.520 6.270 10.020 58 OH TYR 25 OH TYR 25 0.820 -4.640 9.150 59 H TYR 25 H TYR 25 -1.130 2.800 11.330 60 HH TYR 25 HH TYR 25 0.580 -4.850 8.200 61 H ALA 26 H ALA 26 -0.300 2.240 8.500 62 H GLU 27 H GLU 27 1.250 4.980 7.890 63 H ASP 28 H ASP 28 3.370 4.680 10.340 64 H GLU 29 H GLU 29 4.610 2.180 9.960 65 H ALA 30 H ALA 30 5.370 2.400 7.430 66 NH1 ARG 31 NH1 ARG 31 9.830 8.420 13.280 67 NH2 ARG 31 NH2 ARG 31 12.040 7.800 13.330 68 H ARG 31 H ARG 31 7.220 4.560 7.440 69 HE ARG 31 HE ARG 31 11.720 7.280 10.910 70 1HH1 ARG 31 HH1 ARG 31 8.950 8.450 12.810 71 2HH1 ARG 31 HH1 ARG 31 9.920 8.740 14.220 72 1HH2 ARG 31 HH2 ARG 31 12.810 7.300 12.950 73 2HH2 ARG 31 HH2 ARG 31 12.080 8.150 14.270 74 H LYS 32 H LYS 32 9.240 3.040 9.080 75 1HZ LYS 32 HZ3 LYS 32 9.010 4.330 12.130 76 2HZ LYS 32 HZ1 LYS 32 9.370 5.220 13.450 77 3HZ LYS 32 HZ2 LYS 32 10.330 5.300 12.150 78 H ILE 33 H ILE 33 9.790 0.920 7.160 79 H GLY 34 H GLY 34 11.280 2.710 5.600 80 H VAL 35 H VAL 35 10.060 3.700 3.850 81 H VAL 36 H VAL 36 8.590 5.690 0.180 82 H GLY 37 H GLY 37 5.610 8.880 0.930 83 CH2 TRP 38 CH2 TRP 38 -2.910 10.370 -4.060 84 H TRP 38 H TRP 38 1.900 7.260 -0.470 85 HE1 TRP 38 HE1 TRP 38 1.200 11.150 -3.970 86 H VAL 39 H VAL 39 -1.490 8.560 1.970 87 H LYS 40 H LYS 40 -4.530 6.310 -0.260 88 1HZ LYS 40 HZ3 LYS 40 -8.190 10.470 -4.300 89 2HZ LYS 40 HZ1 LYS 40 -7.250 10.600 -5.620 90 3HZ LYS 40 HZ2 LYS 40 -8.860 10.450 -5.800 91 H ASN 41 H ASN 41 -7.710 8.940 0.650 92 1HD2 ASN 41 HD2 ASN 41 -10.480 11.470 2.690 93 2HD2 ASN 41 HD2 ASN 41 -11.320 9.980 3.070 94 H THR 42 H THR 42 -10.790 5.920 0.090 95 HG1 THR 42 HG1 THR 42 -12.180 3.830 -1.690 96 H SER 43 H SER 43 -14.630 7.200 -1.860 97 HG SER 43 HG SER 43 -17.350 6.300 -3.240 98 H LYS 44 H LYS 44 -15.530 4.580 -1.350 99 1HZ LYS 44 HZ1 LYS 44 -21.500 1.300 -3.170 100 2HZ LYS 44 HZ2 LYS 44 -22.360 2.660 -3.400 101 3HZ LYS 44 HZ3 LYS 44 -20.980 2.400 -4.260 102 H GLY 45 H GLY 45 -14.140 3.840 1.290 103 H THR 46 H THR 46 -12.730 1.790 -0.680 104 HG1 THR 46 HG1 THR 46 -12.160 2.540 -3.810 105 H VAL 47 H VAL 47 -9.040 1.070 0.660 106 H THR 48 H THR 48 -6.970 4.020 -1.260 107 HG1 THR 48 HG1 THR 48 -4.770 2.720 -4.960 108 H GLY 49 H GLY 49 -3.600 4.340 -3.960 109 H GLN 50 H GLN 50 0.000 6.260 -2.210 110 1HE2 GLN 50 HE2 GLN 50 0.080 10.060 -7.340 111 2HE2 GLN 50 HE2 GLN 50 -0.610 8.450 -7.280 112 H VAL 51 H VAL 51 3.000 3.820 -3.990 113 H GLN 52 H GLN 52 6.320 5.520 -2.270 114 1HE2 GLN 52 HE2 GLN 52 11.960 6.420 -5.950 115 2HE2 GLN 52 HE2 GLN 52 11.090 7.930 -5.970 116 H GLY 53 H GLY 53 9.830 3.850 -4.170 117 H GLU 55 H GLU 55 14.820 0.590 -5.280 118 H GLU 56 H GLU 56 15.760 -2.290 -3.330 119 H LYS 57 H LYS 57 14.010 -1.180 -1.150 120 1HZ LYS 57 HZ2 LYS 57 15.450 1.940 3.960 121 2HZ LYS 57 HZ3 LYS 57 15.800 0.400 3.550 122 3HZ LYS 57 HZ1 LYS 57 17.000 1.440 3.900 123 H VAL 58 H VAL 58 11.530 -0.850 -2.010 124 H ASN 59 H ASN 59 11.000 -3.610 -2.650 125 1HD2 ASN 59 HD2 ASN 59 12.740 -7.170 -5.140 126 2HD2 ASN 59 HD2 ASN 59 12.520 -7.970 -3.600 127 H SER 60 H SER 60 10.970 -4.620 0.180 128 HG SER 60 HG SER 60 10.330 -5.570 4.320 129 H MET 61 H MET 61 8.780 -3.050 1.140 130 H LYS 62 H LYS 62 6.660 -4.190 -0.750 131 1HZ LYS 62 HZ3 LYS 62 6.360 -5.000 -7.150 132 2HZ LYS 62 HZ1 LYS 62 4.780 -5.400 -7.180 133 3HZ LYS 62 HZ2 LYS 62 5.250 -3.930 -7.720 134 H SER 63 H SER 63 6.800 -6.900 0.390 135 HG SER 63 HG SER 63 8.320 -8.410 0.450 136 CH2 TRP 64 CH2 TRP 64 3.550 -0.090 6.300 137 H TRP 64 H TRP 64 5.850 -6.220 2.950 138 HE1 TRP 64 HE1 TRP 64 2.340 -3.610 8.230 139 H LEU 65 H LEU 65 2.170 -4.750 4.960 140 H SER 66 H SER 66 1.020 -6.760 2.370 141 HG SER 66 HG SER 66 2.140 -8.940 1.380 142 H LYS 67 H LYS 67 1.760 -8.660 4.140 143 1HZ LYS 67 HZ3 LYS 67 5.410 -7.650 9.060 144 2HZ LYS 67 HZ1 LYS 67 4.660 -6.390 9.760 145 3HZ LYS 67 HZ2 LYS 67 5.580 -7.380 10.670 146 H VAL 68 H VAL 68 -0.890 -9.190 7.340 147 H GLY 69 H GLY 69 -0.540 -5.900 9.560 148 H SER 70 H SER 70 -2.270 -5.110 13.690 149 HG SER 70 HG SER 70 -6.650 -3.890 12.820 150 H SER 72 H SER 72 -6.430 -2.130 14.320 151 HG SER 72 HG SER 72 -8.300 0.830 16.030 152 H SER 73 H SER 73 -8.490 -1.720 12.400 153 HG SER 73 HG SER 73 -10.310 -0.950 10.150 154 NH1 ARG 74 NH2 ARG 74 -11.570 -6.480 11.960 155 NH2 ARG 74 NH1 ARG 74 -12.930 -4.810 11.170 156 H ARG 74 H ARG 74 -10.040 -5.510 10.500 157 HE ARG 74 HE ARG 74 -12.520 -5.840 8.940 158 1HH1 ARG 74 HH2 ARG 74 -11.090 -7.340 11.820 159 2HH1 ARG 74 HH2 ARG 74 -11.660 -6.100 12.880 160 1HH2 ARG 74 HH1 ARG 74 -13.440 -4.360 10.440 161 2HH2 ARG 74 HH1 ARG 74 -13.000 -4.470 12.110 162 H ILE 75 H ILE 75 -6.170 -5.350 8.180 163 H ASP 76 H ASP 76 -8.820 -4.840 5.140 164 NH1 ARG 77 NH1 ARG 77 -4.900 -10.570 1.070 165 NH2 ARG 77 NH2 ARG 77 -3.210 -9.140 0.480 166 H ARG 77 H ARG 77 -6.890 -7.590 3.020 167 HE ARG 77 HE ARG 77 -4.500 -8.840 -1.630 168 1HH1 ARG 77 HH1 ARG 77 -5.800 -10.970 0.900 169 2HH1 ARG 77 HH1 ARG 77 -4.380 -10.820 1.890 170 1HH2 ARG 77 HH2 ARG 77 -2.760 -8.540 -0.180 171 2HH2 ARG 77 HH2 ARG 77 -2.760 -9.380 1.340 172 H THR 78 H THR 78 -4.500 -7.310 0.430 173 HG1 THR 78 HG1 THR 78 -3.130 -4.690 2.330 174 H ASN 79 H ASN 79 -4.600 -4.770 -2.890 175 1HD2 ASN 79 HD2 ASN 79 -3.880 -7.620 -7.980 176 2HD2 ASN 79 HD2 ASN 79 -4.440 -8.130 -6.400 177 H PHE 80 H PHE 80 -1.250 -6.080 -5.600 178 H SER 81 H SER 81 -0.980 -2.390 -7.360 179 HG SER 81 HG SER 81 -3.610 -2.960 -8.790 180 H ASN 82 H ASN 82 -0.200 -2.010 -11.630 181 1HD2 ASN 82 HD2 ASN 82 -3.450 0.550 -12.000 182 2HD2 ASN 82 HD2 ASN 82 -2.530 0.140 -10.570 183 H GLU 83 H GLU 83 2.760 -0.920 -12.370 184 H LYS 84 H LYS 84 5.520 1.790 -10.850 185 1HZ LYS 84 HZ3 LYS 84 2.190 3.920 -11.390 186 2HZ LYS 84 HZ1 LYS 84 1.080 5.090 -11.190 187 3HZ LYS 84 HZ2 LYS 84 1.340 4.480 -12.680 188 H THR 85 H THR 85 8.960 1.690 -13.000 189 HG1 THR 85 HG1 THR 85 11.160 2.200 -14.350 190 H ILE 86 H ILE 86 10.940 4.850 -10.490 191 H SER 87 H SER 87 11.780 8.960 -10.660 192 HG SER 87 HG SER 87 16.240 8.720 -10.390 193 H LYS 88 H LYS 88 14.960 9.150 -7.730 194 1HZ LYS 88 HZ2 LYS 88 18.280 12.410 -9.510 195 2HZ LYS 88 HZ3 LYS 88 17.060 11.520 -10.150 196 3HZ LYS 88 HZ1 LYS 88 17.270 13.070 -10.610 197 H LEU 89 H LEU 89 13.440 10.880 -3.980 198 H GLU 90 H GLU 90 9.400 11.090 -4.770 199 OH TYR 91 OH TYR 91 2.170 12.540 -4.970 200 H TYR 91 H TYR 91 8.970 12.600 -1.780 201 HH TYR 91 HH TYR 91 2.300 11.770 -5.600 202 H SER 92 H SER 92 6.550 14.530 1.160 203 HG SER 92 HG SER 92 5.310 14.880 3.480 204 H ASN 93 H ASN 93 8.740 11.650 2.850 205 1HD2 ASN 93 HD2 ASN 93 10.310 8.900 7.040 206 2HD2 ASN 93 HD2 ASN 93 8.630 8.390 7.040 207 H PHE 94 H PHE 94 6.830 7.790 4.150 208 H SER 95 H SER 95 2.760 9.190 3.310 209 HG SER 95 HG SER 95 1.480 11.860 2.480 210 H VAL 96 H VAL 96 -0.110 11.320 4.580 211 NH1 ARG 97 NH1 ARG 97 -10.050 10.160 8.180 212 NH2 ARG 97 NH2 ARG 97 -9.730 12.310 8.900 213 H ARG 97 H ARG 97 -4.260 10.550 5.760 214 HE ARG 97 HE ARG 97 -8.530 12.620 6.720 215 1HH1 ARG 97 HH1 ARG 97 -9.880 9.430 7.510 216 2HH1 ARG 97 HH1 ARG 97 -10.600 9.980 8.990 217 1HH2 ARG 97 HH2 ARG 97 -9.300 13.210 8.820 218 2HH2 ARG 97 HH2 ARG 97 -10.290 12.090 9.700 219 OH TYR 98 OH TYR 98 1.130 13.220 1.500 220 H TYR 98 H TYR 98 -4.860 10.610 1.350 221 HH TYR 98 HH TYR 98 1.700 13.470 0.710 Raw file had 221 H/Q atoms Start of MODEL 2 1 1H SER 1 H3 SER 1 5.740 -3.070 -17.460 2 2H SER 1 H1 SER 1 5.340 -3.910 -16.130 3 3H SER 1 H2 SER 1 4.170 -3.310 -17.070 4 HG SER 1 HG SER 1 4.490 -0.270 -14.090 5 H THR 2 H THR 2 7.010 -0.970 -17.130 6 HG1 THR 2 HG1 THR 2 7.850 0.130 -13.760 7 H ALA 3 H ALA 3 8.400 -2.500 -14.080 8 NH1 ARG 4 NH2 ARG 4 15.210 -5.830 -15.890 9 NH2 ARG 4 NH1 ARG 4 17.390 -5.140 -15.800 10 H ARG 4 H ARG 4 11.860 -2.560 -14.470 11 HE ARG 4 HE ARG 4 16.440 -2.840 -16.010 12 1HH1 ARG 4 HH2 ARG 4 14.240 -5.620 -15.980 13 2HH1 ARG 4 HH2 ARG 4 15.520 -6.780 -15.810 14 1HH2 ARG 4 HH1 ARG 4 18.100 -4.430 -15.820 15 2HH2 ARG 4 HH1 ARG 4 17.660 -6.110 -15.710 16 H LEU 6 H LEU 6 13.010 -1.130 -9.690 17 H LYS 7 H LYS 7 11.480 -0.660 -7.860 18 1HZ LYS 7 HZ1 LYS 7 9.200 -5.850 -10.780 19 2HZ LYS 7 HZ2 LYS 7 9.000 -6.390 -9.260 20 3HZ LYS 7 HZ3 LYS 7 7.700 -6.100 -10.220 21 H SER 8 H SER 8 9.080 2.370 -8.810 22 HG SER 8 HG SER 8 7.090 5.100 -5.900 23 H VAL 9 H VAL 9 5.850 1.730 -5.660 24 H ASP 10 H ASP 10 1.870 1.210 -7.430 25 OH TYR 11 OH TYR 11 -0.320 3.580 1.570 26 H TYR 11 H TYR 11 -0.380 1.950 -3.830 27 HH TYR 11 HH TYR 11 0.480 4.160 1.410 28 H GLU 12 H GLU 12 -3.400 -1.040 -4.620 29 H VAL 13 H VAL 13 -5.750 0.120 -1.240 30 H PHE 14 H PHE 14 -6.740 -4.100 -0.280 31 H GLY 15 H GLY 15 -10.640 -5.200 1.460 32 NH1 ARG 16 NH2 ARG 16 -10.610 -12.440 2.910 33 NH2 ARG 16 NH1 ARG 16 -8.610 -12.930 3.910 34 H ARG 16 H ARG 16 -10.490 -6.840 5.310 35 HE ARG 16 HE ARG 16 -9.290 -11.240 5.600 36 1HH1 ARG 16 HH2 ARG 16 -11.460 -11.930 2.880 37 2HH1 ARG 16 HH2 ARG 16 -10.400 -13.110 2.200 38 1HH2 ARG 16 HH1 ARG 16 -7.940 -12.810 4.640 39 2HH2 ARG 16 HH1 ARG 16 -8.440 -13.590 3.180 40 H VAL 17 H VAL 17 -11.850 -6.100 7.480 41 H GLN 18 H GLN 18 -15.330 -3.340 7.370 42 1HE2 GLN 18 HE2 GLN 18 -14.090 -3.510 2.670 43 2HE2 GLN 18 HE2 GLN 18 -14.710 -4.320 4.080 44 H GLY 19 H GLY 19 -13.080 0.130 5.410 45 H VAL 20 H VAL 20 -10.730 2.140 5.420 46 H CYS 21 H CYS 21 -8.840 3.980 7.830 47 HG CYS 21 HG CYS 21 -7.010 3.660 12.400 48 H PHE 22 H PHE 22 -6.080 2.000 8.710 49 NH1 ARG 23 NH1 ARG 23 -3.080 11.010 10.100 50 NH2 ARG 23 NH2 ARG 23 -5.300 11.550 10.090 51 H ARG 23 H ARG 23 -4.510 4.950 9.450 52 HE ARG 23 HE ARG 23 -5.390 10.200 8.000 53 1HH1 ARG 23 HH1 ARG 23 -2.280 10.600 9.650 54 2HH1 ARG 23 HH1 ARG 23 -2.960 11.540 10.940 55 1HH2 ARG 23 HH2 ARG 23 -6.200 11.570 9.650 56 2HH2 ARG 23 HH2 ARG 23 -5.150 12.080 10.930 57 H MET 24 H MET 24 -2.630 7.240 10.630 58 OH TYR 25 OH TYR 25 0.180 -2.720 10.040 59 H TYR 25 H TYR 25 -1.040 4.820 11.640 60 HH TYR 25 HH TYR 25 -0.070 -3.260 10.840 61 H ALA 26 H ALA 26 0.020 3.490 9.030 62 H GLU 27 H GLU 27 1.410 5.780 8.070 63 H ASP 28 H ASP 28 3.330 6.590 10.040 64 H GLU 29 H GLU 29 4.820 4.170 10.290 65 H ALA 30 H ALA 30 5.800 3.660 7.640 66 NH1 ARG 31 NH1 ARG 31 7.080 12.690 6.590 67 NH2 ARG 31 NH2 ARG 31 5.000 12.330 5.680 68 H ARG 31 H ARG 31 7.420 6.040 7.110 69 HE ARG 31 HE ARG 31 5.200 10.060 6.660 70 1HH1 ARG 31 HH1 ARG 31 7.850 12.390 7.140 71 2HH1 ARG 31 HH1 ARG 31 7.060 13.630 6.220 72 1HH2 ARG 31 HH2 ARG 31 4.200 11.750 5.550 73 2HH2 ARG 31 HH2 ARG 31 5.020 13.260 5.330 74 H LYS 32 H LYS 32 9.490 5.740 9.130 75 1HZ LYS 32 HZ1 LYS 32 7.230 6.750 12.600 76 2HZ LYS 32 HZ2 LYS 32 7.450 8.040 13.570 77 3HZ LYS 32 HZ3 LYS 32 8.390 7.820 12.250 78 H ILE 33 H ILE 33 10.550 3.400 8.100 79 H GLY 34 H GLY 34 12.520 4.290 6.170 80 H VAL 35 H VAL 35 10.590 3.910 4.230 81 H VAL 36 H VAL 36 9.330 5.000 0.310 82 H GLY 37 H GLY 37 6.670 8.610 0.570 83 CH2 TRP 38 CH2 TRP 38 -1.410 8.130 -5.120 84 H TRP 38 H TRP 38 3.090 7.340 -0.710 85 HE1 TRP 38 HE1 TRP 38 2.500 9.610 -5.330 86 H VAL 39 H VAL 39 -0.200 9.150 1.500 87 H LYS 40 H LYS 40 -3.560 7.190 -0.510 88 1HZ LYS 40 HZ1 LYS 40 -6.510 10.100 -6.570 89 2HZ LYS 40 HZ2 LYS 40 -7.600 9.050 -5.990 90 3HZ LYS 40 HZ3 LYS 40 -8.070 10.550 -6.450 91 H ASN 41 H ASN 41 -7.070 9.670 0.300 92 1HD2 ASN 41 HD2 ASN 41 -10.300 11.830 1.500 93 2HD2 ASN 41 HD2 ASN 41 -11.260 10.380 1.380 94 H THR 42 H THR 42 -10.060 6.620 -1.070 95 HG1 THR 42 HG1 THR 42 -11.680 4.510 -1.570 96 H SER 43 H SER 43 -11.230 9.690 -1.780 97 HG SER 43 HG SER 43 -14.890 8.830 -2.480 98 H LYS 44 H LYS 44 -13.720 7.310 -0.720 99 1HZ LYS 44 HZ2 LYS 44 -20.500 7.150 0.550 100 2HZ LYS 44 HZ3 LYS 44 -20.810 7.250 2.160 101 3HZ LYS 44 HZ1 LYS 44 -20.740 8.600 1.250 102 H GLY 45 H GLY 45 -13.620 5.800 3.290 103 H THR 46 H THR 46 -12.330 3.430 0.690 104 HG1 THR 46 HG1 THR 46 -11.640 2.310 -2.220 105 H VAL 47 H VAL 47 -7.960 2.060 0.700 106 H THR 48 H THR 48 -6.360 5.090 -1.820 107 HG1 THR 48 HG1 THR 48 -5.790 6.440 -3.720 108 H GLY 49 H GLY 49 -2.610 3.400 -2.260 109 H GLN 50 H GLN 50 1.040 5.830 -1.600 110 1HE2 GLN 50 HE2 GLN 50 3.170 7.920 -7.610 111 2HE2 GLN 50 HE2 GLN 50 1.980 6.820 -6.940 112 H VAL 51 H VAL 51 3.760 3.040 -3.320 113 H GLN 52 H GLN 52 7.340 4.510 -1.930 114 1HE2 GLN 52 HE2 GLN 52 13.450 2.710 -1.660 115 2HE2 GLN 52 HE2 GLN 52 12.410 3.070 -0.310 116 H GLY 53 H GLY 53 10.410 3.610 -5.190 117 H GLU 55 H GLU 55 12.890 -1.460 -3.540 118 H GLU 56 H GLU 56 14.040 -5.170 -3.760 119 H LYS 57 H LYS 57 15.990 -4.170 -0.080 120 1HZ LYS 57 HZ1 LYS 57 15.360 1.370 4.130 121 2HZ LYS 57 HZ2 LYS 57 16.090 1.280 2.670 122 3HZ LYS 57 HZ3 LYS 57 14.530 1.760 2.800 123 H VAL 58 H VAL 58 13.610 -2.480 0.050 124 H ASN 59 H ASN 59 11.690 -4.400 -0.790 125 1HD2 ASN 59 HD2 ASN 59 10.140 -5.770 -4.840 126 2HD2 ASN 59 HD2 ASN 59 9.020 -6.480 -3.720 127 H SER 60 H SER 60 10.950 -5.810 1.630 128 HG SER 60 HG SER 60 11.690 -5.170 3.930 129 H MET 61 H MET 61 9.200 -4.190 2.910 130 H LYS 62 H LYS 62 6.950 -4.490 1.340 131 1HZ LYS 62 HZ2 LYS 62 5.170 -5.670 -4.810 132 2HZ LYS 62 HZ3 LYS 62 6.410 -4.680 -5.170 133 3HZ LYS 62 HZ1 LYS 62 6.650 -6.290 -5.070 134 H SER 63 H SER 63 5.790 -6.980 2.090 135 HG SER 63 HG SER 63 6.980 -9.740 2.970 136 CH2 TRP 64 CH2 TRP 64 4.330 0.540 6.710 137 H TRP 64 H TRP 64 4.850 -6.280 4.810 138 HE1 TRP 64 HE1 TRP 64 1.550 -1.880 8.760 139 H LEU 65 H LEU 65 3.050 -3.980 4.100 140 H SER 66 H SER 66 1.140 -5.880 2.840 141 HG SER 66 HG SER 66 1.560 -7.840 1.750 142 H LYS 67 H LYS 67 0.160 -7.810 4.170 143 1HZ LYS 67 HZ2 LYS 67 1.560 -13.720 4.500 144 2HZ LYS 67 HZ3 LYS 67 0.980 -12.760 3.310 145 3HZ LYS 67 HZ1 LYS 67 2.380 -13.560 3.100 146 H VAL 68 H VAL 68 -0.940 -6.470 6.420 147 H GLY 69 H GLY 69 -4.470 -5.790 8.320 148 H SER 70 H SER 70 -2.790 -3.030 10.570 149 HG SER 70 HG SER 70 -1.280 -4.690 12.510 150 H SER 72 H SER 72 -7.930 -1.870 12.870 151 HG SER 72 HG SER 72 -11.110 0.300 10.990 152 H SER 73 H SER 73 -9.580 -4.400 10.470 153 HG SER 73 HG SER 73 -10.260 -7.520 10.380 154 NH1 ARG 74 NH1 ARG 74 -12.760 -2.190 1.160 155 NH2 ARG 74 NH2 ARG 74 -12.350 -4.400 1.080 156 H ARG 74 H ARG 74 -8.750 -3.090 7.520 157 HE ARG 74 HE ARG 74 -10.980 -3.950 3.210 158 1HH1 ARG 74 HH1 ARG 74 -12.940 -1.390 1.730 159 2HH1 ARG 74 HH1 ARG 74 -13.130 -2.240 0.230 160 1HH2 ARG 74 HH2 ARG 74 -12.420 -5.240 1.610 161 2HH2 ARG 74 HH2 ARG 74 -12.670 -4.400 0.130 162 H ILE 75 H ILE 75 -6.920 -4.070 6.310 163 H ASP 76 H ASP 76 -6.330 -6.150 3.020 164 NH1 ARG 77 NH1 ARG 77 -7.820 -7.750 -5.310 165 NH2 ARG 77 NH2 ARG 77 -6.980 -9.360 -6.710 166 H ARG 77 H ARG 77 -6.570 -7.280 1.370 167 HE ARG 77 HE ARG 77 -6.960 -10.800 -4.670 168 1HH1 ARG 77 HH1 ARG 77 -8.280 -7.500 -4.460 169 2HH1 ARG 77 HH1 ARG 77 -7.810 -7.110 -6.080 170 1HH2 ARG 77 HH2 ARG 77 -6.670 -10.290 -6.900 171 2HH2 ARG 77 HH2 ARG 77 -7.030 -8.690 -7.450 172 H THR 78 H THR 78 -3.280 -6.930 -0.230 173 HG1 THR 78 HG1 THR 78 -3.110 -3.990 1.710 174 H ASN 79 H ASN 79 -4.090 -3.880 -3.310 175 1HD2 ASN 79 HD2 ASN 79 -6.250 -6.720 -4.690 176 2HD2 ASN 79 HD2 ASN 79 -5.420 -5.540 -3.710 177 H PHE 80 H PHE 80 -0.550 -4.960 -4.700 178 H SER 81 H SER 81 -0.240 -1.620 -7.090 179 HG SER 81 HG SER 81 -2.060 -2.420 -11.370 180 H ASN 82 H ASN 82 0.130 -0.640 -11.190 181 1HD2 ASN 82 HD2 ASN 82 2.200 5.160 -10.760 182 2HD2 ASN 82 HD2 ASN 82 2.500 3.750 -9.790 183 H GLU 83 H GLU 83 3.210 -0.120 -12.220 184 H LYS 84 H LYS 84 6.190 2.210 -10.590 185 1HZ LYS 84 HZ1 LYS 84 4.220 6.790 -12.900 186 2HZ LYS 84 HZ2 LYS 84 3.950 5.250 -12.440 187 3HZ LYS 84 HZ3 LYS 84 2.750 6.370 -12.370 188 H THR 85 H THR 85 9.490 2.270 -13.200 189 HG1 THR 85 HG1 THR 85 11.840 3.400 -14.470 190 H ILE 86 H ILE 86 11.430 4.050 -9.800 191 H SER 87 H SER 87 13.460 6.410 -11.940 192 HG SER 87 HG SER 87 15.480 6.480 -14.480 193 H LYS 88 H LYS 88 13.910 9.120 -10.630 194 1HZ LYS 88 HZ2 LYS 88 14.900 14.260 -6.590 195 2HZ LYS 88 HZ3 LYS 88 15.200 15.860 -6.490 196 3HZ LYS 88 HZ1 LYS 88 13.830 15.340 -7.190 197 H LEU 89 H LEU 89 15.270 8.980 -6.840 198 H GLU 90 H GLU 90 11.740 10.590 -6.550 199 OH TYR 91 OH TYR 91 7.670 6.830 -5.240 200 H TYR 91 H TYR 91 11.610 11.680 -3.290 201 HH TYR 91 HH TYR 91 6.790 6.950 -5.700 202 H SER 92 H SER 92 10.290 13.150 0.110 203 HG SER 92 HG SER 92 12.010 14.150 2.190 204 H ASN 93 H ASN 93 9.160 10.600 1.630 205 1HD2 ASN 93 HD2 ASN 93 6.300 13.120 -0.310 206 2HD2 ASN 93 HD2 ASN 93 5.760 11.960 0.870 207 H PHE 94 H PHE 94 6.660 9.770 4.700 208 H SER 95 H SER 95 3.470 9.950 2.190 209 HG SER 95 HG SER 95 1.910 14.070 2.330 210 H VAL 96 H VAL 96 0.960 12.970 4.330 211 NH1 ARG 97 NH1 ARG 97 -7.500 9.050 7.480 212 NH2 ARG 97 NH2 ARG 97 -8.840 10.820 6.910 213 H ARG 97 H ARG 97 -3.030 10.850 5.190 214 HE ARG 97 HE ARG 97 -8.370 10.150 4.570 215 1HH1 ARG 97 HH1 ARG 97 -6.920 8.280 7.210 216 2HH1 ARG 97 HH1 ARG 97 -7.650 9.270 8.450 217 1HH2 ARG 97 HH2 ARG 97 -9.260 11.420 6.230 218 2HH2 ARG 97 HH2 ARG 97 -8.980 11.010 7.890 219 OH TYR 98 OH TYR 98 0.820 14.370 0.820 220 H TYR 98 H TYR 98 -4.030 11.510 1.100 221 HH TYR 98 HH TYR 98 0.930 15.370 0.770 Raw file had 221 H/Q atoms Start of MODEL 3 1 1H SER 1 H3 SER 1 8.890 -4.750 -15.500 2 2H SER 1 H1 SER 1 7.520 -4.480 -14.660 3 3H SER 1 H2 SER 1 7.690 -3.830 -16.140 4 HG SER 1 HG SER 1 10.480 -2.300 -11.960 5 H THR 2 H THR 2 8.940 -0.440 -15.190 6 HG1 THR 2 HG1 THR 2 9.370 1.820 -14.540 7 H ALA 3 H ALA 3 12.120 -1.650 -15.060 8 NH1 ARG 4 NH2 ARG 4 12.180 7.700 -14.030 9 NH2 ARG 4 NH1 ARG 4 10.400 6.330 -14.440 10 H ARG 4 H ARG 4 13.540 1.510 -13.750 11 HE ARG 4 HE ARG 4 12.060 4.490 -14.320 12 1HH1 ARG 4 HH2 ARG 4 13.160 7.840 -13.890 13 2HH1 ARG 4 HH2 ARG 4 11.550 8.480 -14.030 14 1HH2 ARG 4 HH1 ARG 4 10.010 5.410 -14.450 15 2HH2 ARG 4 HH1 ARG 4 9.800 7.130 -14.480 16 H LEU 6 H LEU 6 14.040 3.310 -8.290 17 H LYS 7 H LYS 7 11.380 1.610 -5.410 18 1HZ LYS 7 HZ2 LYS 7 6.680 -3.890 -5.370 19 2HZ LYS 7 HZ3 LYS 7 6.000 -4.350 -6.770 20 3HZ LYS 7 HZ1 LYS 7 7.620 -4.370 -6.620 21 H SER 8 H SER 8 7.990 3.270 -7.810 22 HG SER 8 HG SER 8 6.030 6.800 -5.690 23 H VAL 9 H VAL 9 5.310 2.610 -4.910 24 H ASP 10 H ASP 10 1.870 2.540 -7.350 25 OH TYR 11 OH TYR 11 -2.110 4.040 1.030 26 H TYR 11 H TYR 11 -0.390 2.090 -4.050 27 HH TYR 11 HH TYR 11 -1.230 4.220 1.480 28 H GLU 12 H GLU 12 -3.800 -0.990 -4.650 29 H VAL 13 H VAL 13 -6.670 0.580 -2.130 30 H PHE 14 H PHE 14 -7.520 -3.710 -1.070 31 H GLY 15 H GLY 15 -10.700 -2.900 1.030 32 NH1 ARG 16 NH2 ARG 16 -16.480 -10.050 3.630 33 NH2 ARG 16 NH1 ARG 16 -18.520 -9.010 3.510 34 H ARG 16 H ARG 16 -12.320 -5.730 2.800 35 HE ARG 16 HE ARG 16 -17.430 -7.560 1.800 36 1HH1 ARG 16 HH2 ARG 16 -15.550 -10.170 3.290 37 2HH1 ARG 16 HH2 ARG 16 -16.860 -10.660 4.320 38 1HH2 ARG 16 HH1 ARG 16 -19.140 -8.330 3.120 39 2HH2 ARG 16 HH1 ARG 16 -18.850 -9.650 4.190 40 H VAL 17 H VAL 17 -13.220 -5.800 5.750 41 H GLN 18 H GLN 18 -13.710 -2.290 8.330 42 1HE2 GLN 18 HE2 GLN 18 -10.840 1.250 11.660 43 2HE2 GLN 18 HE2 GLN 18 -10.340 0.640 10.100 44 H GLY 19 H GLY 19 -10.920 -2.840 6.700 45 H VAL 20 H VAL 20 -11.280 0.270 5.020 46 H CYS 21 H CYS 21 -8.220 1.930 6.250 47 HG CYS 21 HG CYS 21 -6.630 3.220 10.340 48 H PHE 22 H PHE 22 -6.440 1.640 8.560 49 NH1 ARG 23 NH1 ARG 23 -6.340 9.670 7.020 50 NH2 ARG 23 NH2 ARG 23 -8.030 8.160 6.730 51 H ARG 23 H ARG 23 -4.510 4.550 7.750 52 HE ARG 23 HE ARG 23 -6.230 6.490 6.470 53 1HH1 ARG 23 HH1 ARG 23 -5.360 9.890 7.040 54 2HH1 ARG 23 HH1 ARG 23 -7.030 10.380 7.160 55 1HH2 ARG 23 HH2 ARG 23 -8.350 7.270 6.410 56 2HH2 ARG 23 HH2 ARG 23 -8.690 8.890 6.900 57 H MET 24 H MET 24 -3.330 5.430 11.300 58 OH TYR 25 OH TYR 25 1.060 -4.550 11.360 59 H TYR 25 H TYR 25 -1.710 2.890 11.740 60 HH TYR 25 HH TYR 25 0.370 -5.140 10.930 61 H ALA 26 H ALA 26 -0.290 2.420 9.350 62 H GLU 27 H GLU 27 0.920 4.860 8.960 63 H ASP 28 H ASP 28 2.650 5.270 11.290 64 H GLU 29 H GLU 29 4.650 3.260 11.080 65 H ALA 30 H ALA 30 5.550 3.670 8.580 66 NH1 ARG 31 NH2 ARG 31 6.620 13.400 8.920 67 NH2 ARG 31 NH1 ARG 31 8.880 13.290 9.310 68 H ARG 31 H ARG 31 6.670 6.400 8.630 69 HE ARG 31 HE ARG 31 8.440 10.930 9.930 70 1HH1 ARG 31 HH2 ARG 31 5.740 12.940 8.820 71 2HH1 ARG 31 HH2 ARG 31 6.720 14.360 8.660 72 1HH2 ARG 31 HH1 ARG 31 9.700 12.780 9.530 73 2HH2 ARG 31 HH1 ARG 31 8.940 14.260 9.050 74 H LYS 32 H LYS 32 8.920 5.940 10.410 75 1HZ LYS 32 HZ3 LYS 32 7.650 3.440 15.660 76 2HZ LYS 32 HZ1 LYS 32 8.990 3.820 16.500 77 3HZ LYS 32 HZ2 LYS 32 7.610 4.630 16.790 78 H ILE 33 H ILE 33 10.370 4.190 8.690 79 H GLY 34 H GLY 34 11.110 5.880 6.820 80 H VAL 35 H VAL 35 9.770 6.670 4.590 81 H VAL 36 H VAL 36 8.030 6.220 0.800 82 H GLY 37 H GLY 37 4.220 7.990 0.130 83 CH2 TRP 38 CH2 TRP 38 -2.110 13.290 -4.660 84 H TRP 38 H TRP 38 2.070 9.760 -0.770 85 HE1 TRP 38 HE1 TRP 38 1.990 12.600 -4.160 86 H VAL 39 H VAL 39 -1.940 9.980 1.210 87 H LYS 40 H LYS 40 -4.210 8.250 -2.150 88 1HZ LYS 40 HZ2 LYS 40 -2.930 7.460 -6.240 89 2HZ LYS 40 HZ3 LYS 40 -2.840 8.050 -7.770 90 3HZ LYS 40 HZ1 LYS 40 -1.500 7.480 -7.020 91 H ASN 41 H ASN 41 -7.770 10.700 -2.340 92 1HD2 ASN 41 HD2 ASN 41 -10.130 12.170 1.010 93 2HD2 ASN 41 HD2 ASN 41 -11.140 12.250 -0.410 94 H THR 42 H THR 42 -10.790 7.210 -2.890 95 HG1 THR 42 HG1 THR 42 -11.000 4.320 -4.550 96 H SER 43 H SER 43 -13.530 7.680 -6.370 97 HG SER 43 HG SER 43 -15.680 6.820 -8.550 98 H LYS 44 H LYS 44 -13.880 5.160 -5.410 99 1HZ LYS 44 HZ2 LYS 44 -12.980 3.410 -10.990 100 2HZ LYS 44 HZ3 LYS 44 -11.620 3.990 -10.300 101 3HZ LYS 44 HZ1 LYS 44 -12.050 2.440 -10.080 102 H GLY 45 H GLY 45 -14.310 4.620 -2.880 103 H THR 46 H THR 46 -12.720 1.720 -3.350 104 HG1 THR 46 HG1 THR 46 -11.640 0.930 -6.210 105 H VAL 47 H VAL 47 -9.590 2.680 -1.240 106 H THR 48 H THR 48 -6.610 5.710 -3.030 107 HG1 THR 48 HG1 THR 48 -3.580 3.920 -5.910 108 H GLY 49 H GLY 49 -2.580 3.910 -3.240 109 H GLN 50 H GLN 50 0.270 7.100 -2.170 110 1HE2 GLN 50 HE2 GLN 50 2.020 10.000 -7.640 111 2HE2 GLN 50 HE2 GLN 50 2.060 8.260 -7.470 112 H VAL 51 H VAL 51 2.730 4.180 -3.050 113 H GLN 52 H GLN 52 5.920 6.180 -1.950 114 1HE2 GLN 52 HE2 GLN 52 10.340 9.880 -5.900 115 2HE2 GLN 52 HE2 GLN 52 10.410 8.210 -6.310 116 H GLY 53 H GLY 53 9.270 3.800 -3.300 117 H GLU 55 H GLU 55 12.720 -0.080 -1.260 118 H GLU 56 H GLU 56 13.880 -3.610 -2.500 119 H LYS 57 H LYS 57 16.250 -3.240 1.000 120 1HZ LYS 57 HZ1 LYS 57 17.500 -0.270 7.530 121 2HZ LYS 57 HZ2 LYS 57 17.500 -1.230 8.840 122 3HZ LYS 57 HZ3 LYS 57 18.590 -1.480 7.650 123 H VAL 58 H VAL 58 13.940 -1.760 1.530 124 H ASN 59 H ASN 59 12.230 -3.620 0.580 125 1HD2 ASN 59 HD2 ASN 59 11.940 -5.690 -3.930 126 2HD2 ASN 59 HD2 ASN 59 11.420 -6.900 -2.780 127 H SER 60 H SER 60 10.970 -5.200 2.370 128 HG SER 60 HG SER 60 12.190 -6.240 4.750 129 H MET 61 H MET 61 8.990 -3.070 3.410 130 H LYS 62 H LYS 62 7.010 -2.690 1.420 131 1HZ LYS 62 HZ3 LYS 62 8.070 -4.550 -4.740 132 2HZ LYS 62 HZ1 LYS 62 8.850 -3.780 -3.540 133 3HZ LYS 62 HZ2 LYS 62 9.090 -5.370 -3.740 134 H SER 63 H SER 63 6.430 -5.520 1.180 135 HG SER 63 HG SER 63 5.500 -9.570 2.100 136 CH2 TRP 64 CH2 TRP 64 2.670 -0.860 7.640 137 H TRP 64 H TRP 64 5.150 -5.930 3.770 138 HE1 TRP 64 HE1 TRP 64 1.660 -4.470 9.510 139 H LEU 65 H LEU 65 3.050 -4.190 3.660 140 H SER 66 H SER 66 1.080 -5.670 2.080 141 HG SER 66 HG SER 66 1.550 -8.570 1.400 142 H LYS 67 H LYS 67 -0.330 -7.680 3.560 143 1HZ LYS 67 HZ3 LYS 67 -3.790 -10.730 -0.120 144 2HZ LYS 67 HZ1 LYS 67 -2.800 -9.440 -0.090 145 3HZ LYS 67 HZ2 LYS 67 -2.230 -10.870 -0.640 146 H VAL 68 H VAL 68 -2.310 -6.020 5.580 147 H GLY 69 H GLY 69 -3.360 -7.280 8.010 148 H SER 70 H SER 70 -2.930 -6.430 11.780 149 HG SER 70 HG SER 70 -6.700 -6.120 14.660 150 H SER 72 H SER 72 -6.100 -1.660 14.130 151 HG SER 72 HG SER 72 -4.810 1.500 12.110 152 H SER 73 H SER 73 -6.540 -2.230 11.140 153 HG SER 73 HG SER 73 -3.880 -2.090 10.260 154 NH1 ARG 74 NH2 ARG 74 -11.190 -5.800 13.340 155 NH2 ARG 74 NH1 ARG 74 -10.170 -7.500 14.470 156 H ARG 74 H ARG 74 -5.700 -4.030 9.640 157 HE ARG 74 HE ARG 74 -9.190 -8.090 12.260 158 1HH1 ARG 74 HH2 ARG 74 -11.400 -5.330 12.480 159 2HH1 ARG 74 HH2 ARG 74 -11.630 -5.510 14.190 160 1HH2 ARG 74 HH1 ARG 74 -9.630 -8.340 14.490 161 2HH2 ARG 74 HH1 ARG 74 -10.610 -7.170 15.310 162 H ILE 75 H ILE 75 -7.680 -4.210 6.610 163 H ASP 76 H ASP 76 -8.740 -6.400 3.460 164 NH1 ARG 77 NH1 ARG 77 -8.270 -9.400 -4.680 165 NH2 ARG 77 NH2 ARG 77 -7.920 -11.640 -4.310 166 H ARG 77 H ARG 77 -7.400 -6.650 1.080 167 HE ARG 77 HE ARG 77 -5.770 -10.890 -3.280 168 1HH1 ARG 77 HH1 ARG 77 -7.940 -8.460 -4.670 169 2HH1 ARG 77 HH1 ARG 77 -9.180 -9.620 -5.040 170 1HH2 ARG 77 HH2 ARG 77 -7.320 -12.400 -4.070 171 2HH2 ARG 77 HH2 ARG 77 -8.830 -11.810 -4.680 172 H THR 78 H THR 78 -3.830 -5.830 0.560 173 HG1 THR 78 HG1 THR 78 -3.090 -3.360 2.100 174 H ASN 79 H ASN 79 -4.800 -3.900 -3.080 175 1HD2 ASN 79 HD2 ASN 79 -5.750 -4.060 -8.580 176 2HD2 ASN 79 HD2 ASN 79 -6.640 -3.730 -7.110 177 H PHE 80 H PHE 80 -1.040 -5.050 -4.630 178 H SER 81 H SER 81 -1.230 -1.980 -7.070 179 HG SER 81 HG SER 81 -3.440 -0.450 -8.440 180 H ASN 82 H ASN 82 -0.860 0.080 -8.920 181 1HD2 ASN 82 HD2 ASN 82 -2.730 2.290 -12.550 182 2HD2 ASN 82 HD2 ASN 82 -1.030 2.670 -12.710 183 H GLU 83 H GLU 83 2.310 -0.760 -10.790 184 H LYS 84 H LYS 84 4.800 2.190 -9.610 185 1HZ LYS 84 HZ2 LYS 84 0.920 6.510 -9.900 186 2HZ LYS 84 HZ3 LYS 84 1.170 7.350 -11.280 187 3HZ LYS 84 HZ1 LYS 84 -0.180 6.460 -11.100 188 H THR 85 H THR 85 7.960 1.590 -11.990 189 HG1 THR 85 HG1 THR 85 9.900 -0.260 -12.870 190 H ILE 86 H ILE 86 10.790 3.990 -9.620 191 H SER 87 H SER 87 13.350 6.940 -11.690 192 HG SER 87 HG SER 87 14.890 9.030 -11.840 193 H LYS 88 H LYS 88 14.970 6.470 -7.900 194 1HZ LYS 88 HZ2 LYS 88 20.310 9.710 -7.680 195 2HZ LYS 88 HZ3 LYS 88 20.910 9.310 -6.200 196 3HZ LYS 88 HZ1 LYS 88 21.590 8.710 -7.550 197 H LEU 89 H LEU 89 15.460 8.550 -4.260 198 H GLU 90 H GLU 90 11.460 9.990 -3.200 199 OH TYR 91 OH TYR 91 4.280 12.990 -4.100 200 H TYR 91 H TYR 91 9.770 10.370 -2.060 201 HH TYR 91 HH TYR 91 3.980 12.380 -4.840 202 H SER 92 H SER 92 9.940 11.390 1.910 203 HG SER 92 HG SER 92 11.150 12.810 4.410 204 H ASN 93 H ASN 93 7.660 10.390 3.240 205 1HD2 ASN 93 HD2 ASN 93 7.490 14.170 3.700 206 2HD2 ASN 93 HD2 ASN 93 8.640 12.910 4.130 207 H PHE 94 H PHE 94 5.620 8.210 5.360 208 H SER 95 H SER 95 1.890 10.380 4.050 209 HG SER 95 HG SER 95 0.900 14.390 6.630 210 H VAL 96 H VAL 96 -1.270 10.100 6.250 211 NH1 ARG 97 NH1 ARG 97 -9.400 6.170 4.710 212 NH2 ARG 97 NH2 ARG 97 -8.020 4.460 4.040 213 H ARG 97 H ARG 97 -5.370 11.490 4.850 214 HE ARG 97 HE ARG 97 -6.860 6.230 2.700 215 1HH1 ARG 97 HH1 ARG 97 -9.720 7.110 4.610 216 2HH1 ARG 97 HH1 ARG 97 -9.900 5.530 5.300 217 1HH2 ARG 97 HH2 ARG 97 -7.280 4.100 3.470 218 2HH2 ARG 97 HH2 ARG 97 -8.540 3.860 4.640 219 OH TYR 98 OH TYR 98 -1.510 15.590 3.540 220 H TYR 98 H TYR 98 -5.660 11.810 0.440 221 HH TYR 98 HH TYR 98 -0.950 14.780 3.730 Raw file had 221 H/Q atoms Start of MODEL 4 1 1H SER 1 H2 SER 1 13.620 9.070 -15.430 2 2H SER 1 H3 SER 1 14.520 9.260 -14.070 3 3H SER 1 H1 SER 1 15.060 9.840 -15.480 4 HG SER 1 HG SER 1 16.340 7.450 -12.930 5 H THR 2 H THR 2 13.980 6.190 -16.690 6 HG1 THR 2 HG1 THR 2 12.910 4.190 -18.790 7 H ALA 3 H ALA 3 15.540 3.920 -16.340 8 NH1 ARG 4 NH2 ARG 4 19.850 4.760 -8.760 9 NH2 ARG 4 NH1 ARG 4 20.270 3.150 -10.350 10 H ARG 4 H ARG 4 14.760 2.250 -13.050 11 HE ARG 4 HE ARG 4 18.310 4.120 -11.530 12 1HH1 ARG 4 HH2 ARG 4 19.350 5.570 -8.470 13 2HH1 ARG 4 HH2 ARG 4 20.640 4.420 -8.250 14 1HH2 ARG 4 HH1 ARG 4 20.080 2.740 -11.250 15 2HH2 ARG 4 HH1 ARG 4 21.050 2.850 -9.810 16 H LEU 6 H LEU 6 13.640 2.380 -8.750 17 H LYS 7 H LYS 7 10.810 1.880 -5.870 18 1HZ LYS 7 HZ1 LYS 7 11.230 -2.220 -9.810 19 2HZ LYS 7 HZ2 LYS 7 12.140 -3.580 -9.790 20 3HZ LYS 7 HZ3 LYS 7 10.530 -3.650 -9.500 21 H SER 8 H SER 8 7.880 3.230 -8.560 22 HG SER 8 HG SER 8 4.610 6.260 -7.580 23 H VAL 9 H VAL 9 4.650 2.470 -6.000 24 H ASP 10 H ASP 10 0.930 1.380 -8.210 25 OH TYR 11 OH TYR 11 -1.390 4.860 -0.880 26 H TYR 11 H TYR 11 -1.510 1.950 -4.620 27 HH TYR 11 HH TYR 11 -2.320 5.130 -0.620 28 H GLU 12 H GLU 12 -4.200 -1.630 -4.450 29 H VAL 13 H VAL 13 -6.310 0.030 -1.790 30 H PHE 14 H PHE 14 -8.190 -3.620 -0.540 31 H GLY 15 H GLY 15 -10.390 -1.710 1.580 32 NH1 ARG 16 NH2 ARG 16 -14.840 -6.610 1.470 33 NH2 ARG 16 NH1 ARG 16 -12.550 -6.640 1.480 34 H ARG 16 H ARG 16 -13.050 -3.570 2.290 35 HE ARG 16 HE ARG 16 -12.750 -4.880 -0.270 36 1HH1 ARG 16 HH2 ARG 16 -15.700 -6.270 1.100 37 2HH1 ARG 16 HH2 ARG 16 -14.830 -7.370 2.120 38 1HH2 ARG 16 HH1 ARG 16 -11.660 -6.280 1.210 39 2HH2 ARG 16 HH1 ARG 16 -12.590 -7.430 2.090 40 H VAL 17 H VAL 17 -14.350 -4.190 4.660 41 H GLN 18 H GLN 18 -15.110 -1.210 6.280 42 1HE2 GLN 18 HE2 GLN 18 -17.970 2.110 10.830 43 2HE2 GLN 18 HE2 GLN 18 -17.710 1.850 9.120 44 H GLY 19 H GLY 19 -12.870 -1.010 10.160 45 H VAL 20 H VAL 20 -10.110 -0.210 7.790 46 H CYS 21 H CYS 21 -7.210 1.770 10.200 47 HG CYS 21 HG CYS 21 -6.990 5.510 13.280 48 H PHE 22 H PHE 22 -6.240 3.840 7.590 49 NH1 ARG 23 NH1 ARG 23 -4.990 12.730 7.790 50 NH2 ARG 23 NH2 ARG 23 -3.570 12.950 9.580 51 H ARG 23 H ARG 23 -4.660 6.170 7.930 52 HE ARG 23 HE ARG 23 -3.050 10.560 9.190 53 1HH1 ARG 23 HH1 ARG 23 -5.490 12.160 7.140 54 2HH1 ARG 23 HH1 ARG 23 -5.180 13.710 7.850 55 1HH2 ARG 23 HH2 ARG 23 -2.990 12.550 10.290 56 2HH2 ARG 23 HH2 ARG 23 -3.800 13.930 9.600 57 H MET 24 H MET 24 -2.900 5.760 10.770 58 OH TYR 25 OH TYR 25 -2.230 -1.800 11.530 59 H TYR 25 H TYR 25 -1.000 4.120 9.650 60 HH TYR 25 HH TYR 25 -2.330 -2.590 10.920 61 H ALA 26 H ALA 26 -0.010 4.870 7.400 62 H GLU 27 H GLU 27 1.200 7.210 8.600 63 H ASP 28 H ASP 28 2.960 6.540 11.090 64 H GLU 29 H GLU 29 3.950 4.050 10.340 65 H ALA 30 H ALA 30 4.780 4.120 7.920 66 NH1 ARG 31 NH2 ARG 31 8.240 7.190 12.970 67 NH2 ARG 31 NH1 ARG 31 10.100 5.860 13.150 68 H ARG 31 H ARG 31 6.760 6.160 7.930 69 HE ARG 31 HE ARG 31 11.070 7.370 11.420 70 1HH1 ARG 31 HH2 ARG 31 7.770 7.960 12.560 71 2HH1 ARG 31 HH2 ARG 31 7.800 6.630 13.680 72 1HH2 ARG 31 HH1 ARG 31 11.040 5.620 12.890 73 2HH2 ARG 31 HH1 ARG 31 9.620 5.330 13.850 74 H LYS 32 H LYS 32 8.730 4.830 9.720 75 1HZ LYS 32 HZ3 LYS 32 8.850 0.460 15.190 76 2HZ LYS 32 HZ1 LYS 32 10.080 0.750 16.220 77 3HZ LYS 32 HZ2 LYS 32 9.110 1.970 15.770 78 H ILE 33 H ILE 33 9.250 2.470 7.930 79 H GLY 34 H GLY 34 10.910 3.890 6.250 80 H VAL 35 H VAL 35 9.500 4.490 4.430 81 H VAL 36 H VAL 36 8.010 5.570 0.400 82 H GLY 37 H GLY 37 5.660 9.330 0.250 83 CH2 TRP 38 CH2 TRP 38 -3.100 9.850 -5.320 84 H TRP 38 H TRP 38 1.910 8.310 -1.650 85 HE1 TRP 38 HE1 TRP 38 1.050 10.140 -5.870 86 H VAL 39 H VAL 39 -1.360 9.460 0.900 87 H LYS 40 H LYS 40 -4.670 7.060 -0.950 88 1HZ LYS 40 HZ3 LYS 40 -9.210 11.060 -5.960 89 2HZ LYS 40 HZ1 LYS 40 -10.180 9.870 -5.410 90 3HZ LYS 40 HZ2 LYS 40 -10.670 11.430 -5.300 91 H ASN 41 H ASN 41 -8.220 9.010 0.600 92 1HD2 ASN 41 HD2 ASN 41 -10.840 10.860 2.460 93 2HD2 ASN 41 HD2 ASN 41 -11.710 9.630 1.570 94 H THR 42 H THR 42 -10.330 6.080 -1.650 95 HG1 THR 42 HG1 THR 42 -10.700 7.170 -6.110 96 H SER 43 H SER 43 -13.030 8.320 -4.500 97 HG SER 43 HG SER 43 -14.760 8.650 -7.170 98 H LYS 44 H LYS 44 -13.930 5.860 -5.330 99 1HZ LYS 44 HZ1 LYS 44 -16.460 5.820 -9.010 100 2HZ LYS 44 HZ2 LYS 44 -14.830 5.990 -9.110 101 3HZ LYS 44 HZ3 LYS 44 -15.740 5.870 -10.480 102 H GLY 45 H GLY 45 -14.530 4.850 -2.550 103 H THR 46 H THR 46 -12.900 2.210 -2.790 104 HG1 THR 46 HG1 THR 46 -11.870 0.330 -4.270 105 H VAL 47 H VAL 47 -9.220 1.390 -0.210 106 H THR 48 H THR 48 -7.090 4.790 -1.580 107 HG1 THR 48 HG1 THR 48 -5.300 3.420 -5.530 108 H GLY 49 H GLY 49 -4.120 5.070 -4.560 109 H GLN 50 H GLN 50 -0.290 6.940 -3.360 110 1HE2 GLN 50 HE2 GLN 50 1.250 8.220 -9.700 111 2HE2 GLN 50 HE2 GLN 50 -0.190 7.820 -8.780 112 H VAL 51 H VAL 51 2.550 3.920 -4.180 113 H GLN 52 H GLN 52 5.920 5.750 -2.410 114 1HE2 GLN 52 HE2 GLN 52 11.190 5.740 -7.180 115 2HE2 GLN 52 HE2 GLN 52 10.530 7.320 -6.970 116 H GLY 53 H GLY 53 9.170 3.280 -3.880 117 H GLU 55 H GLU 55 13.720 -0.620 -4.780 118 H GLU 56 H GLU 56 14.650 -2.580 -1.920 119 H LYS 57 H LYS 57 12.940 -1.300 -0.150 120 1HZ LYS 57 HZ3 LYS 57 14.400 1.590 3.890 121 2HZ LYS 57 HZ1 LYS 57 15.650 0.600 3.600 122 3HZ LYS 57 HZ2 LYS 57 15.900 2.210 3.760 123 H VAL 58 H VAL 58 10.660 -1.450 -1.300 124 H ASN 59 H ASN 59 10.200 -4.230 -1.200 125 1HD2 ASN 59 HD2 ASN 59 10.790 -6.730 -3.920 126 2HD2 ASN 59 HD2 ASN 59 9.370 -7.090 -2.970 127 H SER 60 H SER 60 9.450 -4.820 1.710 128 HG SER 60 HG SER 60 9.910 -3.100 4.260 129 H MET 61 H MET 61 7.430 -3.140 2.130 130 H LYS 62 H LYS 62 5.450 -4.140 -0.160 131 1HZ LYS 62 HZ2 LYS 62 7.850 -7.360 -4.750 132 2HZ LYS 62 HZ3 LYS 62 8.260 -8.870 -4.240 133 3HZ LYS 62 HZ1 LYS 62 6.800 -8.590 -4.890 134 H SER 63 H SER 63 4.670 -6.680 1.150 135 HG SER 63 HG SER 63 5.850 -8.770 1.630 136 CH2 TRP 64 CH2 TRP 64 3.460 1.170 5.770 137 H TRP 64 H TRP 64 3.740 -5.820 3.630 138 HE1 TRP 64 HE1 TRP 64 1.210 -1.380 8.230 139 H LEU 65 H LEU 65 1.460 -4.080 2.650 140 H SER 66 H SER 66 -0.690 -6.130 2.670 141 HG SER 66 HG SER 66 -0.200 -8.330 1.640 142 H LYS 67 H LYS 67 -2.630 -9.020 2.450 143 1HZ LYS 67 HZ2 LYS 67 -7.120 -14.520 1.280 144 2HZ LYS 67 HZ3 LYS 67 -6.610 -13.420 0.180 145 3HZ LYS 67 HZ1 LYS 67 -5.730 -14.760 0.460 146 H VAL 68 H VAL 68 -3.930 -7.800 5.680 147 H GLY 69 H GLY 69 -4.160 -6.690 7.470 148 H SER 70 H SER 70 -2.330 -7.450 10.610 149 HG SER 70 HG SER 70 -0.050 -9.070 11.540 150 H SER 72 H SER 72 -2.260 -2.470 13.200 151 HG SER 72 HG SER 72 -2.510 0.570 14.790 152 H SER 73 H SER 73 -3.830 -1.540 12.190 153 HG SER 73 HG SER 73 -5.970 0.700 12.410 154 NH1 ARG 74 NH1 ARG 74 -6.450 -9.200 7.360 155 NH2 ARG 74 NH2 ARG 74 -6.350 -10.520 9.220 156 H ARG 74 H ARG 74 -7.840 -2.720 10.710 157 HE ARG 74 HE ARG 74 -7.890 -8.850 10.230 158 1HH1 ARG 74 HH1 ARG 74 -6.720 -8.350 6.900 159 2HH1 ARG 74 HH1 ARG 74 -5.900 -9.880 6.880 160 1HH2 ARG 74 HH2 ARG 74 -6.520 -10.680 10.190 161 2HH2 ARG 74 HH2 ARG 74 -5.800 -11.160 8.690 162 H ILE 75 H ILE 75 -5.200 -4.010 7.950 163 H ASP 76 H ASP 76 -7.940 -4.820 5.130 164 NH1 ARG 77 NH1 ARG 77 -5.070 -9.390 -3.720 165 NH2 ARG 77 NH2 ARG 77 -6.880 -8.540 -4.820 166 H ARG 77 H ARG 77 -7.800 -5.840 2.190 167 HE ARG 77 HE ARG 77 -8.030 -8.730 -2.590 168 1HH1 ARG 77 HH1 ARG 77 -4.650 -9.770 -2.900 169 2HH1 ARG 77 HH1 ARG 77 -4.530 -9.330 -4.570 170 1HH2 ARG 77 HH2 ARG 77 -7.850 -8.290 -4.850 171 2HH2 ARG 77 HH2 ARG 77 -6.320 -8.500 -5.640 172 H THR 78 H THR 78 -5.250 -7.330 -0.910 173 HG1 THR 78 HG1 THR 78 -4.160 -3.810 0.800 174 H ASN 79 H ASN 79 -5.580 -4.560 -4.040 175 1HD2 ASN 79 HD2 ASN 79 -4.100 -7.280 -9.000 176 2HD2 ASN 79 HD2 ASN 79 -4.780 -7.730 -7.450 177 H PHE 80 H PHE 80 -1.900 -5.650 -6.420 178 H SER 81 H SER 81 -1.360 -1.770 -7.870 179 HG SER 81 HG SER 81 -3.290 -3.640 -10.540 180 H ASN 82 H ASN 82 -0.330 -1.310 -12.170 181 1HD2 ASN 82 HD2 ASN 82 -3.510 1.210 -11.940 182 2HD2 ASN 82 HD2 ASN 82 -2.450 1.320 -10.560 183 H GLU 83 H GLU 83 2.990 -0.540 -12.570 184 H LYS 84 H LYS 84 5.190 2.610 -10.830 185 1HZ LYS 84 HZ3 LYS 84 2.460 3.930 -13.990 186 2HZ LYS 84 HZ1 LYS 84 1.800 4.310 -15.430 187 3HZ LYS 84 HZ2 LYS 84 3.150 3.390 -15.380 188 H THR 85 H THR 85 8.510 1.850 -12.810 189 HG1 THR 85 HG1 THR 85 11.070 1.460 -13.950 190 H ILE 86 H ILE 86 10.490 4.370 -10.150 191 H SER 87 H SER 87 12.990 7.520 -12.150 192 HG SER 87 HG SER 87 16.440 10.030 -11.440 193 H LYS 88 H LYS 88 14.950 8.310 -8.170 194 1HZ LYS 88 HZ1 LYS 88 16.520 12.210 -4.940 195 2HZ LYS 88 HZ2 LYS 88 17.530 13.410 -5.400 196 3HZ LYS 88 HZ3 LYS 88 16.470 13.640 -4.160 197 H LEU 89 H LEU 89 13.460 9.700 -4.400 198 H GLU 90 H GLU 90 9.300 9.760 -5.220 199 OH TYR 91 OH TYR 91 1.440 15.060 -2.030 200 H TYR 91 H TYR 91 9.100 12.260 -2.390 201 HH TYR 91 HH TYR 91 0.950 15.270 -1.190 202 H SER 92 H SER 92 7.390 14.380 0.700 203 HG SER 92 HG SER 92 6.660 15.260 3.150 204 H ASN 93 H ASN 93 8.920 11.100 2.420 205 1HD2 ASN 93 HD2 ASN 93 10.390 8.460 5.610 206 2HD2 ASN 93 HD2 ASN 93 9.020 7.920 4.670 207 H PHE 94 H PHE 94 6.070 7.950 3.700 208 H SER 95 H SER 95 3.440 10.580 2.330 209 HG SER 95 HG SER 95 4.750 12.770 4.560 210 H VAL 96 H VAL 96 0.610 10.400 5.440 211 NH1 ARG 97 NH1 ARG 97 -7.840 4.680 5.430 212 NH2 ARG 97 NH2 ARG 97 -8.630 6.320 6.840 213 H ARG 97 H ARG 97 -3.760 10.780 5.370 214 HE ARG 97 HE ARG 97 -7.810 7.890 5.040 215 1HH1 ARG 97 HH1 ARG 97 -7.390 4.410 4.580 216 2HH1 ARG 97 HH1 ARG 97 -8.250 4.010 6.040 217 1HH2 ARG 97 HH2 ARG 97 -8.750 7.280 7.090 218 2HH2 ARG 97 HH2 ARG 97 -9.000 5.590 7.410 219 OH TYR 98 OH TYR 98 -0.520 15.010 0.530 220 H TYR 98 H TYR 98 -5.060 11.000 1.430 221 HH TYR 98 HH TYR 98 0.060 14.270 0.850 No H/Q in entry = 221
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