data_25645 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25645 _Entry.PDB_ID 2N3J save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 25645 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 80 80 GLN CA C 80 55.036 55.036 57.094 -2.058 25645 2 1 1 . 1 1 80 80 GLN CB C 80 28.313 28.313 27.824 0.489 25645 3 1 1 . 1 1 81 81 LEU N N 81 125.126 125.126 119.137 5.989 25645 4 1 1 . 1 1 81 81 LEU CB C 81 41.212 41.212 42.299 -1.087 25645 5 1 1 . 1 1 81 81 LEU H H 81 8.563 8.563 7.667 0.896 25645 6 1 1 . 1 1 84 84 GLY CA C 84 44.806 44.806 45.386 -0.580 25645 7 1 1 . 1 1 85 85 VAL N N 85 120.010 120.010 115.985 4.025 25645 8 1 1 . 1 1 85 85 VAL CA C 85 62.182 62.182 60.903 1.279 25645 9 1 1 . 1 1 85 85 VAL CB C 85 31.766 31.766 34.023 -2.257 25645 10 1 1 . 1 1 85 85 VAL H H 85 7.975 7.975 7.914 0.061 25645 11 1 1 . 1 1 86 86 SER CA C 86 57.128 57.128 58.923 -1.795 25645 12 1 1 . 1 1 86 86 SER CB C 86 63.886 63.886 62.769 1.117 25645 13 1 1 . 1 1 87 87 GLU N N 87 124.764 124.764 126.984 -2.220 25645 14 1 1 . 1 1 87 87 GLU CA C 87 55.702 55.702 56.514 -0.812 25645 15 1 1 . 1 1 88 88 ILE CA C 88 59.909 59.909 61.977 -2.068 25645 16 1 1 . 1 1 88 88 ILE CB C 88 35.909 35.909 38.908 -2.999 25645 17 1 1 . 1 1 89 89 ARG N N 89 126.800 126.800 119.278 7.522 25645 18 1 1 . 1 1 89 89 ARG CA C 89 54.024 54.024 58.002 -3.978 25645 19 1 1 . 1 1 89 89 ARG CB C 89 30.285 30.285 28.433 1.852 25645 20 1 1 . 1 1 89 89 ARG H H 89 8.231 8.231 8.324 -0.093 25645 21 1 1 . 1 1 93 93 ASP HA H 93 4.745 4.745 4.329 0.416 25645 22 1 1 . 1 1 93 93 ASP CA C 93 53.541 53.541 56.556 -3.015 25645 23 1 1 . 1 1 93 93 ASP CB C 93 41.335 41.335 41.312 0.023 25645 24 1 1 . 1 1 94 94 ARG N N 94 121.910 121.910 119.732 2.178 25645 25 1 1 . 1 1 94 94 ARG HA H 94 4.823 4.823 4.685 0.138 25645 26 1 1 . 1 1 94 94 ARG CA C 94 54.982 54.982 54.926 0.056 25645 27 1 1 . 1 1 94 94 ARG CB C 94 32.387 32.387 31.204 1.183 25645 28 1 1 . 1 1 94 94 ARG H H 94 7.811 7.811 8.540 -0.729 25645 29 1 1 . 1 1 95 95 TRP N N 95 129.134 129.134 127.336 1.798 25645 30 1 1 . 1 1 95 95 TRP CA C 95 55.731 55.731 57.245 -1.514 25645 31 1 1 . 1 1 95 95 TRP CB C 95 29.371 29.371 31.081 -1.710 25645 32 1 1 . 1 1 95 95 TRP H H 95 9.067 9.067 9.184 -0.117 25645 33 1 1 . 1 1 96 96 ARG HA H 96 5.022 5.022 5.062 -0.040 25645 34 1 1 . 1 1 96 96 ARG CA C 96 55.252 55.252 54.911 0.341 25645 35 1 1 . 1 1 96 96 ARG CB C 96 32.455 32.455 31.951 0.504 25645 36 1 1 . 1 1 97 97 VAL N N 97 119.924 119.924 126.923 -6.999 25645 37 1 1 . 1 1 97 97 VAL HA H 97 4.474 4.474 4.403 0.071 25645 38 1 1 . 1 1 97 97 VAL CA C 97 58.208 58.208 60.980 -2.772 25645 39 1 1 . 1 1 97 97 VAL CB C 97 34.114 34.114 35.942 -1.828 25645 40 1 1 . 1 1 97 97 VAL H H 97 8.316 8.316 9.154 -0.838 25645 41 1 1 . 1 1 98 98 SER N N 98 116.475 116.475 119.726 -3.251 25645 42 1 1 . 1 1 98 98 SER CA C 98 56.851 56.851 57.274 -0.423 25645 43 1 1 . 1 1 98 98 SER CB C 98 66.291 66.291 65.541 0.750 25645 44 1 1 . 1 1 99 99 LEU N N 99 122.870 122.870 125.639 -2.769 25645 45 1 1 . 1 1 99 99 LEU CA C 99 53.560 53.560 53.998 -0.438 25645 46 1 1 . 1 1 99 99 LEU CB C 99 44.394 44.394 43.258 1.136 25645 47 1 1 . 1 1 99 99 LEU H H 99 9.161 9.161 9.163 -0.002 25645 48 1 1 . 1 1 100 100 ASP CA C 100 53.766 53.766 55.919 -2.153 25645 49 1 1 . 1 1 100 100 ASP CB C 100 39.856 39.856 40.749 -0.893 25645 50 1 1 . 1 1 101 101 VAL N N 101 121.612 121.612 120.817 0.795 25645 51 1 1 . 1 1 101 101 VAL CA C 101 58.728 58.728 63.650 -4.922 25645 52 1 1 . 1 1 101 101 VAL CB C 101 30.010 30.010 32.333 -2.323 25645 53 1 1 . 1 1 101 101 VAL H H 101 8.484 8.484 8.254 0.230 25645 54 1 1 . 1 1 102 102 ASN N N 102 118.997 118.997 119.616 -0.619 25645 55 1 1 . 1 1 102 102 ASN CA C 102 56.518 56.518 54.038 2.480 25645 56 1 1 . 1 1 102 102 ASN CB C 102 38.488 38.488 37.325 1.163 25645 57 1 1 . 1 1 102 102 ASN H H 102 8.010 8.010 8.296 -0.286 25645 58 1 1 . 1 1 103 103 HIS N N 103 114.123 114.123 119.005 -4.882 25645 59 1 1 . 1 1 103 103 HIS HA H 103 4.290 4.290 4.116 0.174 25645 60 1 1 . 1 1 103 103 HIS CA C 103 57.386 57.386 58.246 -0.860 25645 61 1 1 . 1 1 103 103 HIS CB C 103 29.639 29.639 28.700 0.939 25645 62 1 1 . 1 1 103 103 HIS H H 103 7.817 7.817 8.013 -0.196 25645 63 1 1 . 1 1 104 104 PHE N N 104 117.452 117.452 113.595 3.857 25645 64 1 1 . 1 1 104 104 PHE CA C 104 57.411 57.411 56.659 0.752 25645 65 1 1 . 1 1 104 104 PHE CB C 104 40.120 40.120 39.073 1.047 25645 66 1 1 . 1 1 104 104 PHE H H 104 8.315 8.315 5.766 2.549 25645 67 1 1 . 1 1 105 105 ALA N N 105 126.820 126.820 124.496 2.324 25645 68 1 1 . 1 1 105 105 ALA CA C 105 49.383 49.383 48.767 0.615 25645 69 1 1 . 1 1 105 105 ALA CB C 105 17.252 17.252 19.261 -2.009 25645 70 1 1 . 1 1 105 105 ALA H H 105 9.290 9.290 7.672 1.618 25645 71 1 1 . 1 1 106 106 PRO CA C 106 65.904 65.904 64.450 1.454 25645 72 1 1 . 1 1 106 106 PRO CB C 106 30.445 30.445 32.300 -1.855 25645 73 1 1 . 1 1 107 107 ASP N N 107 110.250 110.250 118.768 -8.518 25645 74 1 1 . 1 1 107 107 ASP CA C 107 53.849 53.849 55.518 -1.669 25645 75 1 1 . 1 1 107 107 ASP CB C 107 38.993 38.993 40.852 -1.859 25645 76 1 1 . 1 1 107 107 ASP H H 107 8.122 8.122 8.596 -0.474 25645 77 1 1 . 1 1 108 108 GLU N N 108 120.254 120.254 120.555 -0.301 25645 78 1 1 . 1 1 108 108 GLU CA C 108 55.584 55.584 56.482 -0.898 25645 79 1 1 . 1 1 108 108 GLU CB C 108 28.838 28.838 27.735 1.103 25645 80 1 1 . 1 1 108 108 GLU H H 108 8.164 8.164 8.579 -0.415 25645 81 1 1 . 1 1 109 109 LEU N N 109 120.135 120.135 121.709 -1.574 25645 82 1 1 . 1 1 109 109 LEU CA C 109 52.717 52.717 54.163 -1.446 25645 83 1 1 . 1 1 109 109 LEU CB C 109 45.419 45.419 45.567 -0.148 25645 84 1 1 . 1 1 109 109 LEU H H 109 7.113 7.113 7.892 -0.779 25645 85 1 1 . 1 1 110 110 THR N N 110 115.508 115.508 122.801 -7.293 25645 86 1 1 . 1 1 110 110 THR CA C 110 60.148 60.148 61.301 -1.153 25645 87 1 1 . 1 1 110 110 THR CB C 110 71.203 71.203 71.067 0.136 25645 88 1 1 . 1 1 111 111 VAL N N 111 124.271 124.271 126.618 -2.347 25645 89 1 1 . 1 1 111 111 VAL HA H 111 4.824 4.824 4.289 0.535 25645 90 1 1 . 1 1 111 111 VAL CA C 111 61.069 61.069 61.943 -0.874 25645 91 1 1 . 1 1 111 111 VAL CB C 111 32.613 32.613 32.449 0.164 25645 92 1 1 . 1 1 111 111 VAL H H 111 8.448 8.448 8.704 -0.256 25645 93 1 1 . 1 1 112 112 LYS N N 112 127.684 127.684 128.762 -1.078 25645 94 1 1 . 1 1 112 112 LYS CA C 112 54.406 54.406 54.809 -0.403 25645 95 1 1 . 1 1 112 112 LYS CB C 112 35.342 35.342 35.196 0.146 25645 96 1 1 . 1 1 112 112 LYS H H 112 9.060 9.060 8.363 0.697 25645 97 1 1 . 1 1 113 113 THR N N 113 118.383 118.383 120.091 -1.708 25645 98 1 1 . 1 1 113 113 THR CA C 113 60.487 60.487 61.993 -1.506 25645 99 1 1 . 1 1 113 113 THR CB C 113 68.992 68.992 69.643 -0.651 25645 100 1 1 . 1 1 113 113 THR H H 113 8.536 8.536 8.572 -0.036 25645 101 1 1 . 1 1 114 114 LYS N N 114 125.354 125.354 127.899 -2.545 25645 102 1 1 . 1 1 114 114 LYS CA C 114 55.481 55.481 55.412 0.069 25645 103 1 1 . 1 1 114 114 LYS CB C 114 33.686 33.686 33.167 0.519 25645 104 1 1 . 1 1 114 114 LYS H H 114 8.650 8.650 8.870 -0.220 25645 105 1 1 . 1 1 115 115 ASP N N 115 124.373 124.373 120.947 3.426 25645 106 1 1 . 1 1 115 115 ASP HA H 115 4.373 4.373 4.380 -0.007 25645 107 1 1 . 1 1 115 115 ASP CA C 115 55.485 55.485 55.194 0.291 25645 108 1 1 . 1 1 115 115 ASP CB C 115 39.176 39.176 40.192 -1.016 25645 109 1 1 . 1 1 115 115 ASP H H 115 9.018 9.018 8.412 0.606 25645 110 1 1 . 1 1 116 116 GLY N N 116 105.265 105.265 105.843 -0.578 25645 111 1 1 . 1 1 116 116 GLY CA C 116 45.343 45.343 45.057 0.286 25645 112 1 1 . 1 1 116 116 GLY H H 116 8.677 8.677 8.889 -0.212 25645 113 1 1 . 1 1 117 117 VAL N N 117 120.174 120.174 122.233 -2.059 25645 114 1 1 . 1 1 117 117 VAL HA H 117 5.008 5.008 4.544 0.464 25645 115 1 1 . 1 1 117 117 VAL CA C 117 59.834 59.834 61.548 -1.714 25645 116 1 1 . 1 1 117 117 VAL CB C 117 34.800 34.800 32.509 2.291 25645 117 1 1 . 1 1 117 117 VAL H H 117 7.790 7.790 7.259 0.531 25645 118 1 1 . 1 1 118 118 VAL N N 118 125.349 125.349 128.603 -3.254 25645 119 1 1 . 1 1 118 118 VAL HA H 118 4.676 4.676 4.372 0.304 25645 120 1 1 . 1 1 118 118 VAL CA C 118 60.349 60.349 61.299 -0.950 25645 121 1 1 . 1 1 118 118 VAL CB C 118 32.602 32.602 32.133 0.469 25645 122 1 1 . 1 1 119 119 GLU N N 119 128.922 128.922 128.413 0.509 25645 123 1 1 . 1 1 119 119 GLU CA C 119 53.883 53.883 54.776 -0.893 25645 124 1 1 . 1 1 119 119 GLU CB C 119 32.066 32.066 33.591 -1.525 25645 125 1 1 . 1 1 119 119 GLU H H 119 9.417 9.417 8.289 1.128 25645 126 1 1 . 1 1 120 120 ILE N N 120 129.583 129.583 125.543 4.040 25645 127 1 1 . 1 1 120 120 ILE CA C 120 59.681 59.681 59.792 -0.111 25645 128 1 1 . 1 1 120 120 ILE CB C 120 40.042 40.042 40.313 -0.271 25645 129 1 1 . 1 1 120 120 ILE H H 120 9.616 9.616 8.599 1.017 25645 130 1 1 . 1 1 121 121 THR N N 121 121.955 121.955 121.900 0.055 25645 131 1 1 . 1 1 121 121 THR CA C 121 59.950 59.950 60.978 -1.028 25645 132 1 1 . 1 1 121 121 THR CB C 121 70.943 70.943 69.802 1.141 25645 133 1 1 . 1 1 121 121 THR H H 121 8.686 8.686 9.184 -0.498 25645 134 1 1 . 1 1 122 122 GLY N N 122 111.809 111.809 112.899 -1.090 25645 135 1 1 . 1 1 122 122 GLY CA C 122 43.346 43.346 44.962 -1.615 25645 136 1 1 . 1 1 122 122 GLY H H 122 6.961 6.961 8.428 -1.467 25645 137 1 1 . 1 1 123 123 LYS N N 123 122.817 122.817 123.953 -1.136 25645 138 1 1 . 1 1 123 123 LYS CA C 123 56.015 56.015 54.440 1.575 25645 139 1 1 . 1 1 123 123 LYS CB C 123 33.748 33.748 36.645 -2.897 25645 140 1 1 . 1 1 123 123 LYS H H 123 8.041 8.041 7.900 0.141 25645 141 1 1 . 1 1 124 124 HIS N N 124 122.330 122.330 116.884 5.446 25645 142 1 1 . 1 1 124 124 HIS CA C 124 53.525 53.525 54.275 -0.750 25645 143 1 1 . 1 1 124 124 HIS CB C 124 32.205 32.205 31.702 0.503 25645 144 1 1 . 1 1 124 124 HIS H H 124 9.090 9.090 7.739 1.351 25645 145 1 1 . 1 1 125 125 GLU N N 125 122.817 122.817 122.965 -0.148 25645 146 1 1 . 1 1 125 125 GLU HA H 125 4.418 4.418 4.071 0.347 25645 147 1 1 . 1 1 125 125 GLU CA C 125 54.377 54.377 56.736 -2.359 25645 148 1 1 . 1 1 125 125 GLU CB C 125 29.304 29.304 30.531 -1.227 25645 149 1 1 . 1 1 126 126 GLU N N 126 118.410 118.410 120.641 -2.231 25645 150 1 1 . 1 1 126 126 GLU HA H 126 4.155 4.155 3.944 0.211 25645 151 1 1 . 1 1 126 126 GLU CA C 126 57.815 57.815 57.995 -0.180 25645 152 1 1 . 1 1 126 126 GLU CB C 126 29.373 29.373 29.362 0.011 25645 153 1 1 . 1 1 126 126 GLU H H 126 8.800 8.800 8.537 0.263 25645 154 1 1 . 1 1 127 127 ARG N N 127 124.867 124.867 125.705 -0.838 25645 155 1 1 . 1 1 127 127 ARG HA H 127 4.880 4.880 4.546 0.334 25645 156 1 1 . 1 1 127 127 ARG CA C 127 53.544 53.544 54.417 -0.873 25645 157 1 1 . 1 1 127 127 ARG CB C 127 32.379 32.379 32.221 0.159 25645 158 1 1 . 1 1 127 127 ARG H H 127 8.921 8.921 8.112 0.809 25645 159 1 1 . 1 1 128 128 GLN N N 128 122.883 122.883 124.145 -1.262 25645 160 1 1 . 1 1 128 128 GLN HA H 128 4.503 4.503 4.502 0.001 25645 161 1 1 . 1 1 128 128 GLN CA C 128 55.175 55.175 55.710 -0.535 25645 162 1 1 . 1 1 128 128 GLN CB C 128 28.933 28.933 29.641 -0.708 25645 163 1 1 . 1 1 128 128 GLN H H 128 8.758 8.758 8.596 0.162 25645 164 1 1 . 1 1 129 129 ASP N N 129 128.171 128.171 127.185 0.986 25645 165 1 1 . 1 1 129 129 ASP CA C 129 51.655 51.655 52.580 -0.925 25645 166 1 1 . 1 1 129 129 ASP CB C 129 41.155 41.155 43.525 -2.370 25645 167 1 1 . 1 1 129 129 ASP H H 129 8.892 8.892 8.668 0.224 25645 168 1 1 . 1 1 130 130 GLU N N 130 114.822 114.822 120.424 -5.602 25645 169 1 1 . 1 1 130 130 GLU HA H 130 3.947 3.947 4.007 -0.060 25645 170 1 1 . 1 1 130 130 GLU CA C 130 58.201 58.201 57.964 0.237 25645 171 1 1 . 1 1 130 130 GLU CB C 130 28.013 28.013 29.538 -1.525 25645 172 1 1 . 1 1 130 130 GLU H H 130 8.799 8.799 8.750 0.049 25645 173 1 1 . 1 1 131 131 HIS N N 131 115.145 115.145 116.694 -1.549 25645 174 1 1 . 1 1 131 131 HIS HA H 131 4.980 4.980 4.827 0.153 25645 175 1 1 . 1 1 131 131 HIS CA C 131 55.377 55.377 55.492 -0.115 25645 176 1 1 . 1 1 131 131 HIS CB C 131 32.300 32.300 29.164 3.136 25645 177 1 1 . 1 1 131 131 HIS H H 131 7.794 7.794 8.080 -0.286 25645 178 1 1 . 1 1 132 132 GLY N N 132 108.839 108.839 107.533 1.306 25645 179 1 1 . 1 1 132 132 GLY CA C 132 45.750 45.750 44.598 1.152 25645 180 1 1 . 1 1 132 132 GLY H H 132 7.516 7.516 7.569 -0.053 25645 181 1 1 . 1 1 133 133 TYR N N 133 122.032 122.032 119.931 2.101 25645 182 1 1 . 1 1 133 133 TYR CA C 133 56.072 56.072 56.087 -0.015 25645 183 1 1 . 1 1 133 133 TYR CB C 133 41.340 41.340 39.047 2.293 25645 184 1 1 . 1 1 133 133 TYR H H 133 8.355 8.355 8.109 0.246 25645 185 1 1 . 1 1 134 134 ILE N N 134 118.356 118.356 127.338 -8.982 25645 186 1 1 . 1 1 134 134 ILE CA C 134 57.630 57.630 60.225 -2.595 25645 187 1 1 . 1 1 134 134 ILE CB C 134 41.527 41.527 39.170 2.357 25645 188 1 1 . 1 1 134 134 ILE H H 134 8.949 8.949 8.647 0.302 25645 189 1 1 . 1 1 135 135 SER N N 135 123.022 123.022 124.036 -1.014 25645 190 1 1 . 1 1 135 135 SER CA C 135 56.890 56.890 57.583 -0.693 25645 191 1 1 . 1 1 135 135 SER CB C 135 65.803 65.803 65.818 -0.015 25645 192 1 1 . 1 1 136 136 ARG N N 136 114.983 114.983 121.295 -6.312 25645 193 1 1 . 1 1 136 136 ARG CA C 136 55.300 55.300 54.979 0.321 25645 194 1 1 . 1 1 136 136 ARG CB C 136 36.804 36.804 33.715 3.089 25645 195 1 1 . 1 1 136 136 ARG H H 136 5.916 5.916 8.245 -2.329 25645 196 1 1 . 1 1 137 137 CYS N N 137 117.966 117.966 117.924 0.042 25645 197 1 1 . 1 1 137 137 CYS CA C 137 55.918 55.918 56.220 -0.302 25645 198 1 1 . 1 1 137 137 CYS CB C 137 41.577 41.577 29.369 12.208 25645 199 1 1 . 1 1 137 137 CYS H H 137 9.616 9.616 8.171 1.445 25645 200 1 1 . 1 1 138 138 PHE N N 138 120.959 120.959 125.240 -4.281 25645 201 1 1 . 1 1 138 138 PHE CA C 138 57.921 57.921 57.732 0.189 25645 202 1 1 . 1 1 138 138 PHE CB C 138 40.796 40.796 41.285 -0.489 25645 203 1 1 . 1 1 138 138 PHE H H 138 9.306 9.306 9.784 -0.478 25645 204 1 1 . 1 1 139 139 THR N N 139 115.870 115.870 118.691 -2.821 25645 205 1 1 . 1 1 139 139 THR CA C 139 62.202 62.202 60.556 1.646 25645 206 1 1 . 1 1 139 139 THR CB C 139 71.765 71.765 70.035 1.730 25645 207 1 1 . 1 1 139 139 THR H H 139 8.336 8.336 8.578 -0.242 25645 208 1 1 . 1 1 140 140 ARG N N 140 129.223 129.223 127.011 2.212 25645 209 1 1 . 1 1 140 140 ARG CA C 140 53.286 53.286 55.213 -1.927 25645 210 1 1 . 1 1 140 140 ARG CB C 140 32.505 32.505 32.477 0.028 25645 211 1 1 . 1 1 140 140 ARG H H 140 9.858 9.858 8.333 1.525 25645 212 1 1 . 1 1 141 141 LYS N N 141 123.968 123.968 125.766 -1.798 25645 213 1 1 . 1 1 141 141 LYS HA H 141 5.677 5.677 5.155 0.522 25645 214 1 1 . 1 1 141 141 LYS CA C 141 53.931 53.931 55.714 -1.782 25645 215 1 1 . 1 1 141 141 LYS CB C 141 35.675 35.675 35.046 0.629 25645 216 1 1 . 1 1 141 141 LYS H H 141 8.788 8.788 8.827 -0.039 25645 217 1 1 . 1 1 142 142 TYR N N 142 121.120 121.120 127.527 -6.407 25645 218 1 1 . 1 1 142 142 TYR CA C 142 55.983 55.983 55.306 0.677 25645 219 1 1 . 1 1 142 142 TYR CB C 142 41.189 41.189 39.308 1.881 25645 220 1 1 . 1 1 142 142 TYR H H 142 9.335 9.335 9.667 -0.332 25645 221 1 1 . 1 1 143 143 THR N N 143 119.260 119.260 121.501 -2.241 25645 222 1 1 . 1 1 143 143 THR CA C 143 62.091 62.091 62.150 -0.059 25645 223 1 1 . 1 1 143 143 THR CB C 143 68.728 68.728 68.176 0.552 25645 224 1 1 . 1 1 143 143 THR H H 143 8.907 8.907 8.582 0.325 25645 225 1 1 . 1 1 144 144 LEU N N 144 128.655 128.655 127.998 0.657 25645 226 1 1 . 1 1 144 144 LEU CA C 144 52.057 52.057 51.651 0.406 25645 227 1 1 . 1 1 144 144 LEU CB C 144 40.611 40.611 42.722 -2.111 25645 228 1 1 . 1 1 144 144 LEU H H 144 8.190 8.190 7.967 0.223 25645 229 1 1 . 1 1 146 146 PRO CA C 146 62.697 62.697 64.205 -1.508 25645 230 1 1 . 1 1 146 146 PRO CB C 146 30.337 30.337 30.160 0.177 25645 231 1 1 . 1 1 147 147 GLY N N 147 109.243 109.243 106.765 2.478 25645 232 1 1 . 1 1 147 147 GLY CA C 147 44.659 44.659 45.657 -0.998 25645 233 1 1 . 1 1 147 147 GLY H H 147 8.473 8.473 7.887 0.586 25645 234 1 1 . 1 1 148 148 VAL N N 148 120.323 120.323 122.926 -2.603 25645 235 1 1 . 1 1 148 148 VAL HA H 148 3.867 3.867 3.788 0.079 25645 236 1 1 . 1 1 148 148 VAL CA C 148 62.132 62.132 63.470 -1.338 25645 237 1 1 . 1 1 148 148 VAL CB C 148 30.798 30.798 32.485 -1.687 25645 238 1 1 . 1 1 148 148 VAL H H 148 7.020 7.020 7.776 -0.756 25645 239 1 1 . 1 1 149 149 ASP N N 149 130.411 130.411 125.453 4.958 25645 240 1 1 . 1 1 149 149 ASP CA C 149 49.931 49.931 53.828 -3.897 25645 241 1 1 . 1 1 149 149 ASP CB C 149 40.925 40.925 40.457 0.468 25645 242 1 1 . 1 1 149 149 ASP H H 149 8.798 8.798 8.385 0.413 25645 243 1 1 . 1 1 150 150 PRO HA H 150 4.039 4.039 4.328 -0.289 25645 244 1 1 . 1 1 150 150 PRO CA C 150 64.379 64.379 64.523 -0.144 25645 245 1 1 . 1 1 150 150 PRO CB C 150 31.158 31.158 31.950 -0.791 25645 246 1 1 . 1 1 151 151 THR N N 151 108.501 108.501 108.313 0.188 25645 247 1 1 . 1 1 151 151 THR CA C 151 63.540 63.540 63.652 -0.112 25645 248 1 1 . 1 1 151 151 THR CB C 151 68.784 68.784 68.950 -0.166 25645 249 1 1 . 1 1 151 151 THR H H 151 8.295 8.295 8.339 -0.044 25645 250 1 1 . 1 1 152 152 GLN N N 152 119.655 119.655 118.782 0.873 25645 251 1 1 . 1 1 152 152 GLN HA H 152 4.433 4.433 4.476 -0.043 25645 252 1 1 . 1 1 152 152 GLN CA C 152 54.247 54.247 55.930 -1.683 25645 253 1 1 . 1 1 152 152 GLN CB C 152 28.118 28.118 29.888 -1.770 25645 254 1 1 . 1 1 153 153 VAL N N 153 120.424 120.424 123.039 -2.615 25645 255 1 1 . 1 1 153 153 VAL HA H 153 4.584 4.584 4.066 0.518 25645 256 1 1 . 1 1 153 153 VAL CA C 153 62.129 62.129 62.571 -0.442 25645 257 1 1 . 1 1 153 153 VAL CB C 153 30.632 30.632 31.300 -0.668 25645 258 1 1 . 1 1 153 153 VAL H H 153 6.881 6.881 7.764 -0.883 25645 259 1 1 . 1 1 154 154 SER N N 154 124.948 124.948 122.987 1.961 25645 260 1 1 . 1 1 154 154 SER CA C 154 56.292 56.292 57.327 -1.035 25645 261 1 1 . 1 1 154 154 SER CB C 154 66.028 66.028 65.664 0.364 25645 262 1 1 . 1 1 154 154 SER H H 154 9.507 9.507 8.232 1.275 25645 263 1 1 . 1 1 155 155 SER N N 155 114.211 114.211 116.005 -1.794 25645 264 1 1 . 1 1 155 155 SER CA C 155 56.407 56.407 57.024 -0.617 25645 265 1 1 . 1 1 155 155 SER CB C 155 66.880 66.880 66.232 0.648 25645 266 1 1 . 1 1 155 155 SER H H 155 8.390 8.390 8.203 0.187 25645 267 1 1 . 1 1 156 156 SER N N 156 114.400 114.400 118.990 -4.590 25645 268 1 1 . 1 1 156 156 SER CA C 156 57.035 57.035 57.776 -0.741 25645 269 1 1 . 1 1 156 156 SER CB C 156 65.136 65.136 64.872 0.264 25645 270 1 1 . 1 1 156 156 SER H H 156 8.679 8.679 8.961 -0.282 25645 271 1 1 . 1 1 157 157 LEU N N 157 127.132 127.132 124.217 2.915 25645 272 1 1 . 1 1 157 157 LEU CA C 157 52.943 52.943 53.983 -1.040 25645 273 1 1 . 1 1 157 157 LEU CB C 157 43.606 43.606 46.112 -2.506 25645 274 1 1 . 1 1 157 157 LEU H H 157 8.623 8.623 8.459 0.164 25645 275 1 1 . 1 1 158 158 SER N N 158 124.449 124.449 119.616 4.833 25645 276 1 1 . 1 1 158 158 SER CA C 158 55.551 55.551 54.451 1.100 25645 277 1 1 . 1 1 158 158 SER CB C 158 63.266 63.266 65.132 -1.866 25645 278 1 1 . 1 1 158 158 SER H H 158 8.926 8.926 8.167 0.759 25645 279 1 1 . 1 1 159 159 PRO CA C 159 64.391 64.391 64.862 -0.472 25645 280 1 1 . 1 1 159 159 PRO CB C 159 30.274 30.274 31.843 -1.569 25645 281 1 1 . 1 1 160 160 GLU N N 160 113.862 113.862 115.198 -1.336 25645 282 1 1 . 1 1 160 160 GLU HA H 160 4.315 4.315 4.216 0.099 25645 283 1 1 . 1 1 160 160 GLU CA C 160 56.071 56.071 56.262 -0.191 25645 284 1 1 . 1 1 160 160 GLU CB C 160 28.031 28.031 28.192 -0.161 25645 285 1 1 . 1 1 160 160 GLU H H 160 7.884 7.884 8.320 -0.436 25645 286 1 1 . 1 1 161 161 GLY N N 161 108.198 108.198 109.005 -0.807 25645 287 1 1 . 1 1 161 161 GLY CA C 161 45.836 45.836 46.056 -0.220 25645 288 1 1 . 1 1 161 161 GLY H H 161 8.093 8.093 8.098 -0.005 25645 289 1 1 . 1 1 162 162 THR N N 162 113.714 113.714 115.481 -1.767 25645 290 1 1 . 1 1 162 162 THR CA C 162 61.051 61.051 60.969 0.082 25645 291 1 1 . 1 1 162 162 THR CB C 162 68.924 68.924 69.704 -0.780 25645 292 1 1 . 1 1 162 162 THR H H 162 7.436 7.436 7.437 -0.001 25645 293 1 1 . 1 1 163 163 LEU N N 163 106.660 106.660 131.939 -25.279 25645 294 1 1 . 1 1 163 163 LEU CA C 163 53.400 53.400 52.556 0.844 25645 295 1 1 . 1 1 163 163 LEU CB C 163 43.882 43.882 44.172 -0.290 25645 296 1 1 . 1 1 163 163 LEU H H 163 9.571 9.571 8.609 0.962 25645 297 1 1 . 1 1 164 164 THR N N 164 123.931 123.931 122.265 1.666 25645 298 1 1 . 1 1 164 164 THR CA C 164 61.246 61.246 60.623 0.623 25645 299 1 1 . 1 1 164 164 THR CB C 164 70.034 70.034 69.446 0.588 25645 300 1 1 . 1 1 164 164 THR H H 164 9.165 9.165 9.198 -0.033 25645 301 1 1 . 1 1 165 165 VAL N N 165 128.872 128.872 123.792 5.080 25645 302 1 1 . 1 1 165 165 VAL HA H 165 4.887 4.887 5.049 -0.162 25645 303 1 1 . 1 1 165 165 VAL CA C 165 60.037 60.037 59.443 0.594 25645 304 1 1 . 1 1 165 165 VAL CB C 165 32.397 32.397 32.720 -0.323 25645 305 1 1 . 1 1 165 165 VAL H H 165 8.892 8.892 9.327 -0.435 25645 306 1 1 . 1 1 166 166 GLU N N 166 122.017 122.017 127.779 -5.762 25645 307 1 1 . 1 1 166 166 GLU HA H 166 5.976 5.976 5.667 0.309 25645 308 1 1 . 1 1 166 166 GLU CA C 166 53.604 53.604 54.223 -0.619 25645 309 1 1 . 1 1 166 166 GLU CB C 166 34.427 34.427 32.302 2.125 25645 310 1 1 . 1 1 166 166 GLU H H 166 8.973 8.973 7.921 1.052 25645 311 1 1 . 1 1 167 167 ALA N N 167 121.099 121.099 124.590 -3.491 25645 312 1 1 . 1 1 167 167 ALA CA C 167 49.696 49.696 50.541 -0.845 25645 313 1 1 . 1 1 167 167 ALA CB C 167 21.689 21.689 21.761 -0.072 25645 314 1 1 . 1 1 167 167 ALA H H 167 9.464 9.464 8.764 0.700 25645 315 1 1 . 1 1 168 168 PRO HA H 168 4.644 4.644 5.205 -0.561 25645 316 1 1 . 1 1 168 168 PRO CA C 168 62.139 62.139 62.271 -0.132 25645 317 1 1 . 1 1 168 168 PRO CB C 168 30.564 30.564 31.281 -0.717 25645 318 1 1 . 1 1 169 169 MET N N 169 120.747 120.747 123.055 -2.308 25645 319 1 1 . 1 1 169 169 MET CA C 169 51.702 51.702 52.899 -1.197 25645 320 1 1 . 1 1 169 169 MET CB C 169 31.123 31.123 32.446 -1.323 25645 321 1 1 . 1 1 169 169 MET H H 169 7.726 7.726 7.814 -0.088 25645 322 1 1 . 1 1 170 170 PRO HA H 170 4.401 4.401 4.446 -0.045 25645 323 1 1 . 1 1 170 170 PRO CA C 170 62.148 62.148 62.626 -0.478 25645 324 1 1 . 1 1 170 170 PRO CB C 170 30.765 30.765 32.247 -1.482 25645 325 1 1 . 1 1 171 171 LYS N N 171 123.033 123.033 123.213 -0.180 25645 326 1 1 . 1 1 171 171 LYS HA H 171 4.300 4.300 4.317 -0.017 25645 327 1 1 . 1 1 171 171 LYS CA C 171 55.621 55.621 56.195 -0.574 25645 328 1 1 . 1 1 171 171 LYS CB C 171 31.856 31.856 31.825 0.031 25645 329 1 1 . 1 1 171 171 LYS H H 171 8.296 8.296 8.369 -0.073 25645 330 1 1 . 1 1 172 172 LEU N N 172 124.281 124.281 124.273 0.008 25645 331 1 1 . 1 1 172 172 LEU CA C 172 54.400 54.400 54.623 -0.223 25645 332 1 1 . 1 1 172 172 LEU CB C 172 41.389 41.389 42.517 -1.129 25645 333 1 1 . 1 1 172 172 LEU H H 172 8.262 8.262 8.482 -0.220 25645 334 1 1 . 1 1 173 173 ALA N N 173 125.260 125.260 123.155 2.105 25645 335 1 1 . 1 1 173 173 ALA CA C 173 51.903 51.903 53.260 -1.357 25645 336 1 1 . 1 1 173 173 ALA CB C 173 17.894 17.894 18.637 -0.743 25645 337 1 1 . 1 1 173 173 ALA H H 173 8.343 8.343 7.697 0.646 25645 338 1 1 . 1 1 174 174 THR N N 174 112.925 112.925 115.587 -2.662 25645 339 1 1 . 1 1 174 174 THR CA C 174 61.562 61.562 63.132 -1.570 25645 340 1 1 . 1 1 174 174 THR CB C 174 69.156 69.156 67.245 1.911 25645 341 1 1 . 1 1 174 174 THR H H 174 7.990 7.990 7.993 -0.003 25645 342 1 1 . 1 1 175 175 GLN HA H 175 4.425 4.425 4.000 0.425 25645 343 1 1 . 1 1 175 175 GLN CA C 175 55.430 55.430 56.787 -1.357 25645 344 1 1 . 1 1 175 175 GLN CB C 175 28.460 28.460 28.133 0.327 25645 345 1 2 . 1 1 80 80 GLN CA C 80 55.036 55.036 57.054 -2.018 25645 346 1 2 . 1 1 80 80 GLN CB C 80 28.313 28.313 26.423 1.890 25645 347 1 2 . 1 1 81 81 LEU N N 81 125.126 125.126 112.435 12.691 25645 348 1 2 . 1 1 81 81 LEU CB C 81 41.212 41.212 42.511 -1.299 25645 349 1 2 . 1 1 81 81 LEU H H 81 8.563 8.563 8.563 -0.000 25645 350 1 2 . 1 1 84 84 GLY CA C 84 44.806 44.806 45.664 -0.858 25645 351 1 2 . 1 1 85 85 VAL N N 85 120.010 120.010 118.809 1.201 25645 352 1 2 . 1 1 85 85 VAL CA C 85 62.182 62.182 63.923 -1.742 25645 353 1 2 . 1 1 85 85 VAL CB C 85 31.766 31.766 31.453 0.313 25645 354 1 2 . 1 1 85 85 VAL H H 85 7.975 7.975 7.590 0.385 25645 355 1 2 . 1 1 86 86 SER CA C 86 57.128 57.128 58.218 -1.089 25645 356 1 2 . 1 1 86 86 SER CB C 86 63.886 63.886 62.765 1.121 25645 357 1 2 . 1 1 87 87 GLU N N 87 124.764 124.764 122.730 2.034 25645 358 1 2 . 1 1 87 87 GLU CA C 87 55.702 55.702 55.322 0.380 25645 359 1 2 . 1 1 88 88 ILE CA C 88 59.909 59.909 63.063 -3.154 25645 360 1 2 . 1 1 88 88 ILE CB C 88 35.909 35.909 37.167 -1.258 25645 361 1 2 . 1 1 89 89 ARG N N 89 126.800 126.800 121.093 5.707 25645 362 1 2 . 1 1 89 89 ARG CA C 89 54.024 54.024 55.707 -1.683 25645 363 1 2 . 1 1 89 89 ARG CB C 89 30.285 30.285 31.510 -1.225 25645 364 1 2 . 1 1 89 89 ARG H H 89 8.231 8.231 8.284 -0.053 25645 365 1 2 . 1 1 93 93 ASP HA H 93 4.745 4.745 4.469 0.276 25645 366 1 2 . 1 1 93 93 ASP CA C 93 53.541 53.541 55.300 -1.759 25645 367 1 2 . 1 1 93 93 ASP CB C 93 41.335 41.335 41.338 -0.003 25645 368 1 2 . 1 1 94 94 ARG N N 94 121.910 121.910 119.547 2.363 25645 369 1 2 . 1 1 94 94 ARG HA H 94 4.823 4.823 4.651 0.172 25645 370 1 2 . 1 1 94 94 ARG CA C 94 54.982 54.982 54.890 0.092 25645 371 1 2 . 1 1 94 94 ARG CB C 94 32.387 32.387 31.136 1.251 25645 372 1 2 . 1 1 94 94 ARG H H 94 7.811 7.811 8.162 -0.351 25645 373 1 2 . 1 1 95 95 TRP N N 95 129.134 129.134 125.748 3.386 25645 374 1 2 . 1 1 95 95 TRP CA C 95 55.731 55.731 57.026 -1.294 25645 375 1 2 . 1 1 95 95 TRP CB C 95 29.371 29.371 32.121 -2.750 25645 376 1 2 . 1 1 95 95 TRP H H 95 9.067 9.067 9.182 -0.115 25645 377 1 2 . 1 1 96 96 ARG HA H 96 5.022 5.022 5.131 -0.109 25645 378 1 2 . 1 1 96 96 ARG CA C 96 55.252 55.252 55.073 0.179 25645 379 1 2 . 1 1 96 96 ARG CB C 96 32.455 32.455 31.870 0.585 25645 380 1 2 . 1 1 97 97 VAL N N 97 119.924 119.924 126.984 -7.060 25645 381 1 2 . 1 1 97 97 VAL HA H 97 4.474 4.474 4.616 -0.142 25645 382 1 2 . 1 1 97 97 VAL CA C 97 58.208 58.208 60.229 -2.021 25645 383 1 2 . 1 1 97 97 VAL CB C 97 34.114 34.114 36.181 -2.067 25645 384 1 2 . 1 1 97 97 VAL H H 97 8.316 8.316 9.159 -0.843 25645 385 1 2 . 1 1 98 98 SER N N 98 116.475 116.475 116.134 0.341 25645 386 1 2 . 1 1 98 98 SER CA C 98 56.851 56.851 57.294 -0.443 25645 387 1 2 . 1 1 98 98 SER CB C 98 66.291 66.291 65.962 0.329 25645 388 1 2 . 1 1 99 99 LEU N N 99 122.870 122.870 123.366 -0.496 25645 389 1 2 . 1 1 99 99 LEU CA C 99 53.560 53.560 54.567 -1.007 25645 390 1 2 . 1 1 99 99 LEU CB C 99 44.394 44.394 44.211 0.183 25645 391 1 2 . 1 1 99 99 LEU H H 99 9.161 9.161 9.042 0.119 25645 392 1 2 . 1 1 100 100 ASP CA C 100 53.766 53.766 55.122 -1.356 25645 393 1 2 . 1 1 100 100 ASP CB C 100 39.856 39.856 40.547 -0.691 25645 394 1 2 . 1 1 101 101 VAL N N 101 121.612 121.612 119.613 1.999 25645 395 1 2 . 1 1 101 101 VAL CA C 101 58.728 58.728 63.259 -4.531 25645 396 1 2 . 1 1 101 101 VAL CB C 101 30.010 30.010 32.203 -2.193 25645 397 1 2 . 1 1 101 101 VAL H H 101 8.484 8.484 8.354 0.130 25645 398 1 2 . 1 1 102 102 ASN N N 102 118.997 118.997 118.575 0.422 25645 399 1 2 . 1 1 102 102 ASN CA C 102 56.518 56.518 54.404 2.114 25645 400 1 2 . 1 1 102 102 ASN CB C 102 38.488 38.488 36.908 1.579 25645 401 1 2 . 1 1 102 102 ASN H H 102 8.010 8.010 8.443 -0.433 25645 402 1 2 . 1 1 103 103 HIS N N 103 114.123 114.123 119.809 -5.686 25645 403 1 2 . 1 1 103 103 HIS HA H 103 4.290 4.290 4.156 0.134 25645 404 1 2 . 1 1 103 103 HIS CA C 103 57.386 57.386 57.993 -0.607 25645 405 1 2 . 1 1 103 103 HIS CB C 103 29.639 29.639 29.444 0.195 25645 406 1 2 . 1 1 103 103 HIS H H 103 7.817 7.817 8.120 -0.303 25645 407 1 2 . 1 1 104 104 PHE N N 104 117.452 117.452 113.068 4.384 25645 408 1 2 . 1 1 104 104 PHE CA C 104 57.411 57.411 57.595 -0.184 25645 409 1 2 . 1 1 104 104 PHE CB C 104 40.120 40.120 39.425 0.695 25645 410 1 2 . 1 1 104 104 PHE H H 104 8.315 8.315 6.747 1.568 25645 411 1 2 . 1 1 105 105 ALA N N 105 126.820 126.820 123.282 3.538 25645 412 1 2 . 1 1 105 105 ALA CA C 105 49.383 49.383 48.599 0.784 25645 413 1 2 . 1 1 105 105 ALA CB C 105 17.252 17.252 19.375 -2.123 25645 414 1 2 . 1 1 105 105 ALA H H 105 9.290 9.290 6.969 2.321 25645 415 1 2 . 1 1 106 106 PRO CA C 106 65.904 65.904 64.445 1.460 25645 416 1 2 . 1 1 106 106 PRO CB C 106 30.445 30.445 32.567 -2.122 25645 417 1 2 . 1 1 107 107 ASP N N 107 110.250 110.250 119.562 -9.312 25645 418 1 2 . 1 1 107 107 ASP CA C 107 53.849 53.849 56.285 -2.436 25645 419 1 2 . 1 1 107 107 ASP CB C 107 38.993 38.993 40.891 -1.898 25645 420 1 2 . 1 1 107 107 ASP H H 107 8.122 8.122 8.632 -0.510 25645 421 1 2 . 1 1 108 108 GLU N N 108 120.254 120.254 120.847 -0.593 25645 422 1 2 . 1 1 108 108 GLU CA C 108 55.584 55.584 56.025 -0.441 25645 423 1 2 . 1 1 108 108 GLU CB C 108 28.838 28.838 28.044 0.794 25645 424 1 2 . 1 1 108 108 GLU H H 108 8.164 8.164 8.525 -0.361 25645 425 1 2 . 1 1 109 109 LEU N N 109 120.135 120.135 120.806 -0.671 25645 426 1 2 . 1 1 109 109 LEU CA C 109 52.717 52.717 53.439 -0.722 25645 427 1 2 . 1 1 109 109 LEU CB C 109 45.419 45.419 45.901 -0.482 25645 428 1 2 . 1 1 109 109 LEU H H 109 7.113 7.113 7.538 -0.425 25645 429 1 2 . 1 1 110 110 THR N N 110 115.508 115.508 120.264 -4.756 25645 430 1 2 . 1 1 110 110 THR CA C 110 60.148 60.148 61.093 -0.945 25645 431 1 2 . 1 1 110 110 THR CB C 110 71.203 71.203 70.613 0.590 25645 432 1 2 . 1 1 111 111 VAL N N 111 124.271 124.271 126.956 -2.685 25645 433 1 2 . 1 1 111 111 VAL HA H 111 4.824 4.824 4.332 0.492 25645 434 1 2 . 1 1 111 111 VAL CA C 111 61.069 61.069 61.026 0.042 25645 435 1 2 . 1 1 111 111 VAL CB C 111 32.613 32.613 31.865 0.748 25645 436 1 2 . 1 1 111 111 VAL H H 111 8.448 8.448 8.688 -0.240 25645 437 1 2 . 1 1 112 112 LYS N N 112 127.684 127.684 128.787 -1.103 25645 438 1 2 . 1 1 112 112 LYS CA C 112 54.406 54.406 54.826 -0.420 25645 439 1 2 . 1 1 112 112 LYS CB C 112 35.342 35.342 35.069 0.273 25645 440 1 2 . 1 1 112 112 LYS H H 112 9.060 9.060 8.360 0.700 25645 441 1 2 . 1 1 113 113 THR N N 113 118.383 118.383 119.095 -0.712 25645 442 1 2 . 1 1 113 113 THR CA C 113 60.487 60.487 62.101 -1.614 25645 443 1 2 . 1 1 113 113 THR CB C 113 68.992 68.992 69.898 -0.906 25645 444 1 2 . 1 1 113 113 THR H H 113 8.536 8.536 8.594 -0.058 25645 445 1 2 . 1 1 114 114 LYS N N 114 125.354 125.354 127.014 -1.660 25645 446 1 2 . 1 1 114 114 LYS CA C 114 55.481 55.481 54.670 0.811 25645 447 1 2 . 1 1 114 114 LYS CB C 114 33.686 33.686 33.500 0.186 25645 448 1 2 . 1 1 114 114 LYS H H 114 8.650 8.650 9.210 -0.560 25645 449 1 2 . 1 1 115 115 ASP N N 115 124.373 124.373 127.420 -3.047 25645 450 1 2 . 1 1 115 115 ASP HA H 115 4.373 4.373 4.341 0.032 25645 451 1 2 . 1 1 115 115 ASP CA C 115 55.485 55.485 55.784 -0.299 25645 452 1 2 . 1 1 115 115 ASP CB C 115 39.176 39.176 40.168 -0.992 25645 453 1 2 . 1 1 115 115 ASP H H 115 9.018 9.018 9.164 -0.146 25645 454 1 2 . 1 1 116 116 GLY N N 116 105.265 105.265 106.604 -1.339 25645 455 1 2 . 1 1 116 116 GLY CA C 116 45.343 45.343 45.118 0.225 25645 456 1 2 . 1 1 116 116 GLY H H 116 8.677 8.677 8.778 -0.101 25645 457 1 2 . 1 1 117 117 VAL N N 117 120.174 120.174 123.074 -2.900 25645 458 1 2 . 1 1 117 117 VAL HA H 117 5.008 5.008 4.720 0.288 25645 459 1 2 . 1 1 117 117 VAL CA C 117 59.834 59.834 62.064 -2.230 25645 460 1 2 . 1 1 117 117 VAL CB C 117 34.800 34.800 31.942 2.858 25645 461 1 2 . 1 1 117 117 VAL H H 117 7.790 7.790 8.149 -0.359 25645 462 1 2 . 1 1 118 118 VAL N N 118 125.349 125.349 129.362 -4.013 25645 463 1 2 . 1 1 118 118 VAL HA H 118 4.676 4.676 4.407 0.269 25645 464 1 2 . 1 1 118 118 VAL CA C 118 60.349 60.349 62.154 -1.805 25645 465 1 2 . 1 1 118 118 VAL CB C 118 32.602 32.602 33.348 -0.746 25645 466 1 2 . 1 1 119 119 GLU N N 119 128.922 128.922 127.906 1.016 25645 467 1 2 . 1 1 119 119 GLU CA C 119 53.883 53.883 54.736 -0.853 25645 468 1 2 . 1 1 119 119 GLU CB C 119 32.066 32.066 33.475 -1.409 25645 469 1 2 . 1 1 119 119 GLU H H 119 9.417 9.417 8.441 0.976 25645 470 1 2 . 1 1 120 120 ILE N N 120 129.583 129.583 125.309 4.274 25645 471 1 2 . 1 1 120 120 ILE CA C 120 59.681 59.681 59.957 -0.276 25645 472 1 2 . 1 1 120 120 ILE CB C 120 40.042 40.042 40.319 -0.277 25645 473 1 2 . 1 1 120 120 ILE H H 120 9.616 9.616 8.381 1.235 25645 474 1 2 . 1 1 121 121 THR N N 121 121.955 121.955 121.887 0.068 25645 475 1 2 . 1 1 121 121 THR CA C 121 59.950 59.950 60.889 -0.939 25645 476 1 2 . 1 1 121 121 THR CB C 121 70.943 70.943 70.141 0.802 25645 477 1 2 . 1 1 121 121 THR H H 121 8.686 8.686 8.980 -0.294 25645 478 1 2 . 1 1 122 122 GLY N N 122 111.809 111.809 112.642 -0.833 25645 479 1 2 . 1 1 122 122 GLY CA C 122 43.346 43.346 44.978 -1.632 25645 480 1 2 . 1 1 122 122 GLY H H 122 6.961 6.961 8.415 -1.454 25645 481 1 2 . 1 1 123 123 LYS N N 123 122.817 122.817 125.230 -2.413 25645 482 1 2 . 1 1 123 123 LYS CA C 123 56.015 56.015 54.273 1.742 25645 483 1 2 . 1 1 123 123 LYS CB C 123 33.748 33.748 35.984 -2.236 25645 484 1 2 . 1 1 123 123 LYS H H 123 8.041 8.041 8.041 0.000 25645 485 1 2 . 1 1 124 124 HIS N N 124 122.330 122.330 122.276 0.054 25645 486 1 2 . 1 1 124 124 HIS CA C 124 53.525 53.525 55.343 -1.818 25645 487 1 2 . 1 1 124 124 HIS CB C 124 32.205 32.205 33.301 -1.097 25645 488 1 2 . 1 1 124 124 HIS H H 124 9.090 9.090 8.313 0.777 25645 489 1 2 . 1 1 125 125 GLU N N 125 122.817 122.817 121.093 1.724 25645 490 1 2 . 1 1 125 125 GLU HA H 125 4.418 4.418 4.200 0.218 25645 491 1 2 . 1 1 125 125 GLU CA C 125 54.377 54.377 55.568 -1.191 25645 492 1 2 . 1 1 125 125 GLU CB C 125 29.304 29.304 30.721 -1.417 25645 493 1 2 . 1 1 126 126 GLU N N 126 118.410 118.410 120.561 -2.151 25645 494 1 2 . 1 1 126 126 GLU HA H 126 4.155 4.155 4.084 0.071 25645 495 1 2 . 1 1 126 126 GLU CA C 126 57.815 57.815 57.740 0.075 25645 496 1 2 . 1 1 126 126 GLU CB C 126 29.373 29.373 29.297 0.076 25645 497 1 2 . 1 1 126 126 GLU H H 126 8.800 8.800 8.690 0.111 25645 498 1 2 . 1 1 127 127 ARG N N 127 124.867 124.867 126.742 -1.875 25645 499 1 2 . 1 1 127 127 ARG HA H 127 4.880 4.880 4.612 0.268 25645 500 1 2 . 1 1 127 127 ARG CA C 127 53.544 53.544 54.905 -1.361 25645 501 1 2 . 1 1 127 127 ARG CB C 127 32.379 32.379 31.994 0.385 25645 502 1 2 . 1 1 127 127 ARG H H 127 8.921 8.921 8.670 0.251 25645 503 1 2 . 1 1 128 128 GLN N N 128 122.883 122.883 124.395 -1.512 25645 504 1 2 . 1 1 128 128 GLN HA H 128 4.503 4.503 4.668 -0.166 25645 505 1 2 . 1 1 128 128 GLN CA C 128 55.175 55.175 55.177 -0.002 25645 506 1 2 . 1 1 128 128 GLN CB C 128 28.933 28.933 30.438 -1.505 25645 507 1 2 . 1 1 128 128 GLN H H 128 8.758 8.758 8.635 0.123 25645 508 1 2 . 1 1 129 129 ASP N N 129 128.171 128.171 126.267 1.904 25645 509 1 2 . 1 1 129 129 ASP CA C 129 51.655 51.655 53.328 -1.673 25645 510 1 2 . 1 1 129 129 ASP CB C 129 41.155 41.155 43.136 -1.981 25645 511 1 2 . 1 1 129 129 ASP H H 129 8.892 8.892 8.314 0.578 25645 512 1 2 . 1 1 130 130 GLU N N 130 114.822 114.822 118.257 -3.435 25645 513 1 2 . 1 1 130 130 GLU HA H 130 3.947 3.947 3.947 -0.000 25645 514 1 2 . 1 1 130 130 GLU CA C 130 58.201 58.201 58.321 -0.120 25645 515 1 2 . 1 1 130 130 GLU CB C 130 28.013 28.013 29.476 -1.463 25645 516 1 2 . 1 1 130 130 GLU H H 130 8.799 8.799 8.568 0.231 25645 517 1 2 . 1 1 131 131 HIS N N 131 115.145 115.145 114.565 0.580 25645 518 1 2 . 1 1 131 131 HIS HA H 131 4.980 4.980 4.773 0.207 25645 519 1 2 . 1 1 131 131 HIS CA C 131 55.377 55.377 56.533 -1.156 25645 520 1 2 . 1 1 131 131 HIS CB C 131 32.300 32.300 31.858 0.442 25645 521 1 2 . 1 1 131 131 HIS H H 131 7.794 7.794 8.740 -0.946 25645 522 1 2 . 1 1 132 132 GLY N N 132 108.839 108.839 106.379 2.460 25645 523 1 2 . 1 1 132 132 GLY CA C 132 45.750 45.750 45.233 0.517 25645 524 1 2 . 1 1 132 132 GLY H H 132 7.516 7.516 8.522 -1.006 25645 525 1 2 . 1 1 133 133 TYR N N 133 122.032 122.032 119.153 2.879 25645 526 1 2 . 1 1 133 133 TYR CA C 133 56.072 56.072 56.184 -0.112 25645 527 1 2 . 1 1 133 133 TYR CB C 133 41.340 41.340 40.631 0.709 25645 528 1 2 . 1 1 133 133 TYR H H 133 8.355 8.355 7.961 0.394 25645 529 1 2 . 1 1 134 134 ILE N N 134 118.356 118.356 121.318 -2.962 25645 530 1 2 . 1 1 134 134 ILE CA C 134 57.630 57.630 60.219 -2.589 25645 531 1 2 . 1 1 134 134 ILE CB C 134 41.527 41.527 41.457 0.070 25645 532 1 2 . 1 1 134 134 ILE H H 134 8.949 8.949 9.337 -0.388 25645 533 1 2 . 1 1 135 135 SER N N 135 123.022 123.022 121.928 1.094 25645 534 1 2 . 1 1 135 135 SER CA C 135 56.890 56.890 57.868 -0.978 25645 535 1 2 . 1 1 135 135 SER CB C 135 65.803 65.803 64.344 1.460 25645 536 1 2 . 1 1 136 136 ARG N N 136 114.983 114.983 123.139 -8.156 25645 537 1 2 . 1 1 136 136 ARG CA C 136 55.300 55.300 54.657 0.643 25645 538 1 2 . 1 1 136 136 ARG CB C 136 36.804 36.804 33.131 3.673 25645 539 1 2 . 1 1 136 136 ARG H H 136 5.916 5.916 8.326 -2.410 25645 540 1 2 . 1 1 137 137 CYS N N 137 117.966 117.966 117.053 0.913 25645 541 1 2 . 1 1 137 137 CYS CA C 137 55.918 55.918 56.981 -1.063 25645 542 1 2 . 1 1 137 137 CYS CB C 137 41.577 41.577 28.928 12.649 25645 543 1 2 . 1 1 137 137 CYS H H 137 9.616 9.616 8.325 1.291 25645 544 1 2 . 1 1 138 138 PHE N N 138 120.959 120.959 123.895 -2.936 25645 545 1 2 . 1 1 138 138 PHE CA C 138 57.921 57.921 57.785 0.136 25645 546 1 2 . 1 1 138 138 PHE CB C 138 40.796 40.796 42.176 -1.380 25645 547 1 2 . 1 1 138 138 PHE H H 138 9.306 9.306 9.635 -0.329 25645 548 1 2 . 1 1 139 139 THR N N 139 115.870 115.870 117.987 -2.117 25645 549 1 2 . 1 1 139 139 THR CA C 139 62.202 62.202 60.583 1.619 25645 550 1 2 . 1 1 139 139 THR CB C 139 71.765 71.765 70.248 1.517 25645 551 1 2 . 1 1 139 139 THR H H 139 8.336 8.336 8.512 -0.176 25645 552 1 2 . 1 1 140 140 ARG N N 140 129.223 129.223 127.208 2.015 25645 553 1 2 . 1 1 140 140 ARG CA C 140 53.286 53.286 54.961 -1.675 25645 554 1 2 . 1 1 140 140 ARG CB C 140 32.505 32.505 31.376 1.129 25645 555 1 2 . 1 1 140 140 ARG H H 140 9.858 9.858 8.330 1.528 25645 556 1 2 . 1 1 141 141 LYS N N 141 123.968 123.968 126.298 -2.330 25645 557 1 2 . 1 1 141 141 LYS HA H 141 5.677 5.677 4.885 0.792 25645 558 1 2 . 1 1 141 141 LYS CA C 141 53.931 53.931 55.916 -1.985 25645 559 1 2 . 1 1 141 141 LYS CB C 141 35.675 35.675 34.040 1.635 25645 560 1 2 . 1 1 141 141 LYS H H 141 8.788 8.788 8.856 -0.068 25645 561 1 2 . 1 1 142 142 TYR N N 142 121.120 121.120 128.511 -7.391 25645 562 1 2 . 1 1 142 142 TYR CA C 142 55.983 55.983 55.005 0.978 25645 563 1 2 . 1 1 142 142 TYR CB C 142 41.189 41.189 38.926 2.263 25645 564 1 2 . 1 1 142 142 TYR H H 142 9.335 9.335 9.731 -0.396 25645 565 1 2 . 1 1 143 143 THR N N 143 119.260 119.260 121.166 -1.906 25645 566 1 2 . 1 1 143 143 THR CA C 143 62.091 62.091 62.566 -0.475 25645 567 1 2 . 1 1 143 143 THR CB C 143 68.728 68.728 68.405 0.323 25645 568 1 2 . 1 1 143 143 THR H H 143 8.907 8.907 8.583 0.324 25645 569 1 2 . 1 1 144 144 LEU N N 144 128.655 128.655 127.838 0.817 25645 570 1 2 . 1 1 144 144 LEU CA C 144 52.057 52.057 51.787 0.270 25645 571 1 2 . 1 1 144 144 LEU CB C 144 40.611 40.611 43.029 -2.418 25645 572 1 2 . 1 1 144 144 LEU H H 144 8.190 8.190 7.952 0.238 25645 573 1 2 . 1 1 146 146 PRO CA C 146 62.697 62.697 64.208 -1.511 25645 574 1 2 . 1 1 146 146 PRO CB C 146 30.337 30.337 30.153 0.184 25645 575 1 2 . 1 1 147 147 GLY N N 147 109.243 109.243 106.714 2.529 25645 576 1 2 . 1 1 147 147 GLY CA C 147 44.659 44.659 45.552 -0.893 25645 577 1 2 . 1 1 147 147 GLY H H 147 8.473 8.473 7.911 0.562 25645 578 1 2 . 1 1 148 148 VAL N N 148 120.323 120.323 123.039 -2.716 25645 579 1 2 . 1 1 148 148 VAL HA H 148 3.867 3.867 3.738 0.129 25645 580 1 2 . 1 1 148 148 VAL CA C 148 62.132 62.132 62.981 -0.849 25645 581 1 2 . 1 1 148 148 VAL CB C 148 30.798 30.798 32.594 -1.796 25645 582 1 2 . 1 1 148 148 VAL H H 148 7.020 7.020 7.773 -0.753 25645 583 1 2 . 1 1 149 149 ASP N N 149 130.411 130.411 123.306 7.105 25645 584 1 2 . 1 1 149 149 ASP CA C 149 49.931 49.931 53.766 -3.835 25645 585 1 2 . 1 1 149 149 ASP CB C 149 40.925 40.925 40.625 0.300 25645 586 1 2 . 1 1 149 149 ASP H H 149 8.798 8.798 8.386 0.412 25645 587 1 2 . 1 1 150 150 PRO HA H 150 4.039 4.039 4.366 -0.327 25645 588 1 2 . 1 1 150 150 PRO CA C 150 64.379 64.379 64.315 0.064 25645 589 1 2 . 1 1 150 150 PRO CB C 150 31.158 31.158 31.948 -0.790 25645 590 1 2 . 1 1 151 151 THR N N 151 108.501 108.501 108.259 0.242 25645 591 1 2 . 1 1 151 151 THR CA C 151 63.540 63.540 63.353 0.187 25645 592 1 2 . 1 1 151 151 THR CB C 151 68.784 68.784 68.740 0.044 25645 593 1 2 . 1 1 151 151 THR H H 151 8.295 8.295 8.307 -0.012 25645 594 1 2 . 1 1 152 152 GLN N N 152 119.655 119.655 118.847 0.808 25645 595 1 2 . 1 1 152 152 GLN HA H 152 4.433 4.433 4.500 -0.067 25645 596 1 2 . 1 1 152 152 GLN CA C 152 54.247 54.247 55.607 -1.360 25645 597 1 2 . 1 1 152 152 GLN CB C 152 28.118 28.118 30.618 -2.500 25645 598 1 2 . 1 1 153 153 VAL N N 153 120.424 120.424 121.978 -1.554 25645 599 1 2 . 1 1 153 153 VAL HA H 153 4.584 4.584 3.966 0.618 25645 600 1 2 . 1 1 153 153 VAL CA C 153 62.129 62.129 63.567 -1.438 25645 601 1 2 . 1 1 153 153 VAL CB C 153 30.632 30.632 31.768 -1.136 25645 602 1 2 . 1 1 153 153 VAL H H 153 6.881 6.881 7.700 -0.819 25645 603 1 2 . 1 1 154 154 SER N N 154 124.948 124.948 125.229 -0.281 25645 604 1 2 . 1 1 154 154 SER CA C 154 56.292 56.292 56.975 -0.683 25645 605 1 2 . 1 1 154 154 SER CB C 154 66.028 66.028 65.008 1.020 25645 606 1 2 . 1 1 154 154 SER H H 154 9.507 9.507 8.483 1.024 25645 607 1 2 . 1 1 155 155 SER N N 155 114.211 114.211 115.006 -0.795 25645 608 1 2 . 1 1 155 155 SER CA C 155 56.407 56.407 57.510 -1.103 25645 609 1 2 . 1 1 155 155 SER CB C 155 66.880 66.880 66.148 0.732 25645 610 1 2 . 1 1 155 155 SER H H 155 8.390 8.390 8.117 0.273 25645 611 1 2 . 1 1 156 156 SER N N 156 114.400 114.400 120.099 -5.699 25645 612 1 2 . 1 1 156 156 SER CA C 156 57.035 57.035 57.634 -0.599 25645 613 1 2 . 1 1 156 156 SER CB C 156 65.136 65.136 65.012 0.124 25645 614 1 2 . 1 1 156 156 SER H H 156 8.679 8.679 8.994 -0.315 25645 615 1 2 . 1 1 157 157 LEU N N 157 127.132 127.132 126.113 1.019 25645 616 1 2 . 1 1 157 157 LEU CA C 157 52.943 52.943 53.628 -0.685 25645 617 1 2 . 1 1 157 157 LEU CB C 157 43.606 43.606 45.270 -1.664 25645 618 1 2 . 1 1 157 157 LEU H H 157 8.623 8.623 8.490 0.133 25645 619 1 2 . 1 1 158 158 SER N N 158 124.449 124.449 120.409 4.040 25645 620 1 2 . 1 1 158 158 SER CA C 158 55.551 55.551 54.649 0.902 25645 621 1 2 . 1 1 158 158 SER CB C 158 63.266 63.266 64.993 -1.727 25645 622 1 2 . 1 1 158 158 SER H H 158 8.926 8.926 8.292 0.634 25645 623 1 2 . 1 1 159 159 PRO CA C 159 64.391 64.391 64.717 -0.326 25645 624 1 2 . 1 1 159 159 PRO CB C 159 30.274 30.274 31.825 -1.551 25645 625 1 2 . 1 1 160 160 GLU N N 160 113.862 113.862 114.911 -1.049 25645 626 1 2 . 1 1 160 160 GLU HA H 160 4.315 4.315 4.106 0.209 25645 627 1 2 . 1 1 160 160 GLU CA C 160 56.071 56.071 55.741 0.330 25645 628 1 2 . 1 1 160 160 GLU CB C 160 28.031 28.031 28.405 -0.374 25645 629 1 2 . 1 1 160 160 GLU H H 160 7.884 7.884 8.076 -0.192 25645 630 1 2 . 1 1 161 161 GLY N N 161 108.198 108.198 108.783 -0.585 25645 631 1 2 . 1 1 161 161 GLY CA C 161 45.836 45.836 45.820 0.016 25645 632 1 2 . 1 1 161 161 GLY H H 161 8.093 8.093 8.408 -0.315 25645 633 1 2 . 1 1 162 162 THR N N 162 113.714 113.714 115.799 -2.085 25645 634 1 2 . 1 1 162 162 THR CA C 162 61.051 61.051 60.743 0.308 25645 635 1 2 . 1 1 162 162 THR CB C 162 68.924 68.924 69.204 -0.280 25645 636 1 2 . 1 1 162 162 THR H H 162 7.436 7.436 7.401 0.035 25645 637 1 2 . 1 1 163 163 LEU N N 163 106.660 106.660 131.923 -25.263 25645 638 1 2 . 1 1 163 163 LEU CA C 163 53.400 53.400 52.254 1.146 25645 639 1 2 . 1 1 163 163 LEU CB C 163 43.882 43.882 43.843 0.039 25645 640 1 2 . 1 1 163 163 LEU H H 163 9.571 9.571 8.410 1.161 25645 641 1 2 . 1 1 164 164 THR N N 164 123.931 123.931 121.958 1.973 25645 642 1 2 . 1 1 164 164 THR CA C 164 61.246 61.246 60.222 1.024 25645 643 1 2 . 1 1 164 164 THR CB C 164 70.034 70.034 69.719 0.315 25645 644 1 2 . 1 1 164 164 THR H H 164 9.165 9.165 9.300 -0.135 25645 645 1 2 . 1 1 165 165 VAL N N 165 128.872 128.872 121.643 7.229 25645 646 1 2 . 1 1 165 165 VAL HA H 165 4.887 4.887 4.952 -0.065 25645 647 1 2 . 1 1 165 165 VAL CA C 165 60.037 60.037 59.400 0.637 25645 648 1 2 . 1 1 165 165 VAL CB C 165 32.397 32.397 32.687 -0.290 25645 649 1 2 . 1 1 165 165 VAL H H 165 8.892 8.892 9.234 -0.342 25645 650 1 2 . 1 1 166 166 GLU N N 166 122.017 122.017 127.378 -5.361 25645 651 1 2 . 1 1 166 166 GLU HA H 166 5.976 5.976 5.661 0.315 25645 652 1 2 . 1 1 166 166 GLU CA C 166 53.604 53.604 54.315 -0.711 25645 653 1 2 . 1 1 166 166 GLU CB C 166 34.427 34.427 31.602 2.825 25645 654 1 2 . 1 1 166 166 GLU H H 166 8.973 8.973 8.569 0.404 25645 655 1 2 . 1 1 167 167 ALA N N 167 121.099 121.099 125.321 -4.222 25645 656 1 2 . 1 1 167 167 ALA CA C 167 49.696 49.696 50.389 -0.693 25645 657 1 2 . 1 1 167 167 ALA CB C 167 21.689 21.689 21.890 -0.201 25645 658 1 2 . 1 1 167 167 ALA H H 167 9.464 9.464 9.109 0.355 25645 659 1 2 . 1 1 168 168 PRO HA H 168 4.644 4.644 4.974 -0.330 25645 660 1 2 . 1 1 168 168 PRO CA C 168 62.139 62.139 62.489 -0.350 25645 661 1 2 . 1 1 168 168 PRO CB C 168 30.564 30.564 30.983 -0.419 25645 662 1 2 . 1 1 169 169 MET N N 169 120.747 120.747 122.416 -1.669 25645 663 1 2 . 1 1 169 169 MET CA C 169 51.702 51.702 52.485 -0.783 25645 664 1 2 . 1 1 169 169 MET CB C 169 31.123 31.123 32.549 -1.426 25645 665 1 2 . 1 1 169 169 MET H H 169 7.726 7.726 7.750 -0.024 25645 666 1 2 . 1 1 170 170 PRO HA H 170 4.401 4.401 4.439 -0.038 25645 667 1 2 . 1 1 170 170 PRO CA C 170 62.148 62.148 62.529 -0.381 25645 668 1 2 . 1 1 170 170 PRO CB C 170 30.765 30.765 32.214 -1.448 25645 669 1 2 . 1 1 171 171 LYS N N 171 123.033 123.033 125.451 -2.418 25645 670 1 2 . 1 1 171 171 LYS HA H 171 4.300 4.300 4.298 0.002 25645 671 1 2 . 1 1 171 171 LYS CA C 171 55.621 55.621 55.490 0.131 25645 672 1 2 . 1 1 171 171 LYS CB C 171 31.856 31.856 31.939 -0.083 25645 673 1 2 . 1 1 171 171 LYS H H 171 8.296 8.296 8.515 -0.219 25645 674 1 2 . 1 1 172 172 LEU N N 172 124.281 124.281 127.059 -2.778 25645 675 1 2 . 1 1 172 172 LEU CA C 172 54.400 54.400 53.915 0.485 25645 676 1 2 . 1 1 172 172 LEU CB C 172 41.389 41.389 39.989 1.399 25645 677 1 2 . 1 1 172 172 LEU H H 172 8.262 8.262 8.122 0.140 25645 678 1 2 . 1 1 173 173 ALA N N 173 125.260 125.260 123.724 1.536 25645 679 1 2 . 1 1 173 173 ALA CA C 173 51.903 51.903 52.784 -0.881 25645 680 1 2 . 1 1 173 173 ALA CB C 173 17.894 17.894 18.215 -0.321 25645 681 1 2 . 1 1 173 173 ALA H H 173 8.343 8.343 8.756 -0.413 25645 682 1 2 . 1 1 174 174 THR N N 174 112.925 112.925 113.523 -0.598 25645 683 1 2 . 1 1 174 174 THR CA C 174 61.562 61.562 63.264 -1.702 25645 684 1 2 . 1 1 174 174 THR CB C 174 69.156 69.156 68.865 0.291 25645 685 1 2 . 1 1 174 174 THR H H 174 7.990 7.990 8.493 -0.503 25645 686 1 2 . 1 1 175 175 GLN HA H 175 4.425 4.425 4.668 -0.243 25645 687 1 2 . 1 1 175 175 GLN CA C 175 55.430 55.430 55.158 0.272 25645 688 1 2 . 1 1 175 175 GLN CB C 175 28.460 28.460 29.602 -1.142 25645 689 1 3 . 1 1 80 80 GLN CA C 80 55.036 55.036 56.221 -1.185 25645 690 1 3 . 1 1 80 80 GLN CB C 80 28.313 28.313 29.192 -0.878 25645 691 1 3 . 1 1 81 81 LEU N N 81 125.126 125.126 118.471 6.655 25645 692 1 3 . 1 1 81 81 LEU CB C 81 41.212 41.212 42.558 -1.346 25645 693 1 3 . 1 1 81 81 LEU H H 81 8.563 8.563 8.032 0.531 25645 694 1 3 . 1 1 84 84 GLY CA C 84 44.806 44.806 44.755 0.051 25645 695 1 3 . 1 1 85 85 VAL N N 85 120.010 120.010 117.550 2.460 25645 696 1 3 . 1 1 85 85 VAL CA C 85 62.182 62.182 60.553 1.629 25645 697 1 3 . 1 1 85 85 VAL CB C 85 31.766 31.766 32.543 -0.777 25645 698 1 3 . 1 1 85 85 VAL H H 85 7.975 7.975 7.436 0.539 25645 699 1 3 . 1 1 86 86 SER CA C 86 57.128 57.128 58.267 -1.139 25645 700 1 3 . 1 1 86 86 SER CB C 86 63.886 63.886 62.668 1.218 25645 701 1 3 . 1 1 87 87 GLU N N 87 124.764 124.764 125.186 -0.422 25645 702 1 3 . 1 1 87 87 GLU CA C 87 55.702 55.702 57.566 -1.864 25645 703 1 3 . 1 1 88 88 ILE CA C 88 59.909 59.909 60.846 -0.938 25645 704 1 3 . 1 1 88 88 ILE CB C 88 35.909 35.909 38.381 -2.472 25645 705 1 3 . 1 1 89 89 ARG N N 89 126.800 126.800 122.238 4.562 25645 706 1 3 . 1 1 89 89 ARG CA C 89 54.024 54.024 56.365 -2.341 25645 707 1 3 . 1 1 89 89 ARG CB C 89 30.285 30.285 27.813 2.472 25645 708 1 3 . 1 1 89 89 ARG H H 89 8.231 8.231 8.691 -0.460 25645 709 1 3 . 1 1 93 93 ASP HA H 93 4.745 4.745 4.874 -0.129 25645 710 1 3 . 1 1 93 93 ASP CA C 93 53.541 53.541 53.529 0.012 25645 711 1 3 . 1 1 93 93 ASP CB C 93 41.335 41.335 43.027 -1.692 25645 712 1 3 . 1 1 94 94 ARG N N 94 121.910 121.910 118.726 3.184 25645 713 1 3 . 1 1 94 94 ARG HA H 94 4.823 4.823 4.678 0.145 25645 714 1 3 . 1 1 94 94 ARG CA C 94 54.982 54.982 55.081 -0.099 25645 715 1 3 . 1 1 94 94 ARG CB C 94 32.387 32.387 30.156 2.231 25645 716 1 3 . 1 1 94 94 ARG H H 94 7.811 7.811 8.548 -0.737 25645 717 1 3 . 1 1 95 95 TRP N N 95 129.134 129.134 126.277 2.857 25645 718 1 3 . 1 1 95 95 TRP CA C 95 55.731 55.731 57.622 -1.891 25645 719 1 3 . 1 1 95 95 TRP CB C 95 29.371 29.371 31.022 -1.651 25645 720 1 3 . 1 1 95 95 TRP H H 95 9.067 9.067 8.924 0.143 25645 721 1 3 . 1 1 96 96 ARG HA H 96 5.022 5.022 4.981 0.041 25645 722 1 3 . 1 1 96 96 ARG CA C 96 55.252 55.252 55.094 0.158 25645 723 1 3 . 1 1 96 96 ARG CB C 96 32.455 32.455 32.340 0.115 25645 724 1 3 . 1 1 97 97 VAL N N 97 119.924 119.924 126.898 -6.974 25645 725 1 3 . 1 1 97 97 VAL HA H 97 4.474 4.474 4.442 0.032 25645 726 1 3 . 1 1 97 97 VAL CA C 97 58.208 58.208 60.590 -2.382 25645 727 1 3 . 1 1 97 97 VAL CB C 97 34.114 34.114 35.836 -1.722 25645 728 1 3 . 1 1 97 97 VAL H H 97 8.316 8.316 8.961 -0.645 25645 729 1 3 . 1 1 98 98 SER N N 98 116.475 116.475 119.775 -3.300 25645 730 1 3 . 1 1 98 98 SER CA C 98 56.851 56.851 57.629 -0.778 25645 731 1 3 . 1 1 98 98 SER CB C 98 66.291 66.291 64.889 1.402 25645 732 1 3 . 1 1 99 99 LEU N N 99 122.870 122.870 127.592 -4.722 25645 733 1 3 . 1 1 99 99 LEU CA C 99 53.560 53.560 54.072 -0.511 25645 734 1 3 . 1 1 99 99 LEU CB C 99 44.394 44.394 41.548 2.846 25645 735 1 3 . 1 1 99 99 LEU H H 99 9.161 9.161 9.294 -0.133 25645 736 1 3 . 1 1 100 100 ASP CA C 100 53.766 53.766 56.024 -2.258 25645 737 1 3 . 1 1 100 100 ASP CB C 100 39.856 39.856 40.371 -0.515 25645 738 1 3 . 1 1 101 101 VAL N N 101 121.612 121.612 120.471 1.141 25645 739 1 3 . 1 1 101 101 VAL CA C 101 58.728 58.728 63.187 -4.459 25645 740 1 3 . 1 1 101 101 VAL CB C 101 30.010 30.010 33.017 -3.007 25645 741 1 3 . 1 1 101 101 VAL H H 101 8.484 8.484 7.728 0.756 25645 742 1 3 . 1 1 102 102 ASN N N 102 118.997 118.997 117.994 1.003 25645 743 1 3 . 1 1 102 102 ASN CA C 102 56.518 56.518 54.515 2.003 25645 744 1 3 . 1 1 102 102 ASN CB C 102 38.488 38.488 37.608 0.879 25645 745 1 3 . 1 1 102 102 ASN H H 102 8.010 8.010 8.212 -0.202 25645 746 1 3 . 1 1 103 103 HIS N N 103 114.123 114.123 121.423 -7.300 25645 747 1 3 . 1 1 103 103 HIS HA H 103 4.290 4.290 4.026 0.264 25645 748 1 3 . 1 1 103 103 HIS CA C 103 57.386 57.386 58.891 -1.505 25645 749 1 3 . 1 1 103 103 HIS CB C 103 29.639 29.639 28.995 0.644 25645 750 1 3 . 1 1 103 103 HIS H H 103 7.817 7.817 7.837 -0.020 25645 751 1 3 . 1 1 104 104 PHE N N 104 117.452 117.452 113.744 3.708 25645 752 1 3 . 1 1 104 104 PHE CA C 104 57.411 57.411 57.541 -0.130 25645 753 1 3 . 1 1 104 104 PHE CB C 104 40.120 40.120 38.709 1.411 25645 754 1 3 . 1 1 104 104 PHE H H 104 8.315 8.315 6.221 2.094 25645 755 1 3 . 1 1 105 105 ALA N N 105 126.820 126.820 121.710 5.110 25645 756 1 3 . 1 1 105 105 ALA CA C 105 49.383 49.383 49.374 0.009 25645 757 1 3 . 1 1 105 105 ALA CB C 105 17.252 17.252 19.864 -2.612 25645 758 1 3 . 1 1 105 105 ALA H H 105 9.290 9.290 8.025 1.265 25645 759 1 3 . 1 1 106 106 PRO CA C 106 65.904 65.904 63.876 2.028 25645 760 1 3 . 1 1 106 106 PRO CB C 106 30.445 30.445 32.440 -1.995 25645 761 1 3 . 1 1 107 107 ASP N N 107 110.250 110.250 119.808 -9.558 25645 762 1 3 . 1 1 107 107 ASP CA C 107 53.849 53.849 55.527 -1.678 25645 763 1 3 . 1 1 107 107 ASP CB C 107 38.993 38.993 40.971 -1.978 25645 764 1 3 . 1 1 107 107 ASP H H 107 8.122 8.122 8.432 -0.310 25645 765 1 3 . 1 1 108 108 GLU N N 108 120.254 120.254 120.808 -0.554 25645 766 1 3 . 1 1 108 108 GLU CA C 108 55.584 55.584 56.079 -0.495 25645 767 1 3 . 1 1 108 108 GLU CB C 108 28.838 28.838 28.105 0.733 25645 768 1 3 . 1 1 108 108 GLU H H 108 8.164 8.164 8.498 -0.334 25645 769 1 3 . 1 1 109 109 LEU N N 109 120.135 120.135 121.706 -1.571 25645 770 1 3 . 1 1 109 109 LEU CA C 109 52.717 52.717 53.676 -0.959 25645 771 1 3 . 1 1 109 109 LEU CB C 109 45.419 45.419 46.154 -0.736 25645 772 1 3 . 1 1 109 109 LEU H H 109 7.113 7.113 7.492 -0.379 25645 773 1 3 . 1 1 110 110 THR N N 110 115.508 115.508 120.904 -5.396 25645 774 1 3 . 1 1 110 110 THR CA C 110 60.148 60.148 60.794 -0.646 25645 775 1 3 . 1 1 110 110 THR CB C 110 71.203 71.203 70.898 0.305 25645 776 1 3 . 1 1 111 111 VAL N N 111 124.271 124.271 126.851 -2.580 25645 777 1 3 . 1 1 111 111 VAL HA H 111 4.824 4.824 4.288 0.536 25645 778 1 3 . 1 1 111 111 VAL CA C 111 61.069 61.069 62.136 -1.067 25645 779 1 3 . 1 1 111 111 VAL CB C 111 32.613 32.613 32.261 0.352 25645 780 1 3 . 1 1 111 111 VAL H H 111 8.448 8.448 8.701 -0.253 25645 781 1 3 . 1 1 112 112 LYS N N 112 127.684 127.684 129.760 -2.076 25645 782 1 3 . 1 1 112 112 LYS CA C 112 54.406 54.406 54.821 -0.415 25645 783 1 3 . 1 1 112 112 LYS CB C 112 35.342 35.342 34.835 0.507 25645 784 1 3 . 1 1 112 112 LYS H H 112 9.060 9.060 8.504 0.556 25645 785 1 3 . 1 1 113 113 THR N N 113 118.383 118.383 119.917 -1.534 25645 786 1 3 . 1 1 113 113 THR CA C 113 60.487 60.487 61.786 -1.299 25645 787 1 3 . 1 1 113 113 THR CB C 113 68.992 68.992 69.683 -0.691 25645 788 1 3 . 1 1 113 113 THR H H 113 8.536 8.536 8.569 -0.033 25645 789 1 3 . 1 1 114 114 LYS N N 114 125.354 125.354 126.654 -1.300 25645 790 1 3 . 1 1 114 114 LYS CA C 114 55.481 55.481 55.092 0.389 25645 791 1 3 . 1 1 114 114 LYS CB C 114 33.686 33.686 33.726 -0.040 25645 792 1 3 . 1 1 114 114 LYS H H 114 8.650 8.650 9.035 -0.385 25645 793 1 3 . 1 1 115 115 ASP N N 115 124.373 124.373 126.832 -2.459 25645 794 1 3 . 1 1 115 115 ASP HA H 115 4.373 4.373 4.313 0.060 25645 795 1 3 . 1 1 115 115 ASP CA C 115 55.485 55.485 55.830 -0.345 25645 796 1 3 . 1 1 115 115 ASP CB C 115 39.176 39.176 39.953 -0.777 25645 797 1 3 . 1 1 115 115 ASP H H 115 9.018 9.018 9.036 -0.018 25645 798 1 3 . 1 1 116 116 GLY N N 116 105.265 105.265 106.231 -0.966 25645 799 1 3 . 1 1 116 116 GLY CA C 116 45.343 45.343 45.084 0.259 25645 800 1 3 . 1 1 116 116 GLY H H 116 8.677 8.677 8.743 -0.066 25645 801 1 3 . 1 1 117 117 VAL N N 117 120.174 120.174 122.043 -1.869 25645 802 1 3 . 1 1 117 117 VAL HA H 117 5.008 5.008 4.511 0.497 25645 803 1 3 . 1 1 117 117 VAL CA C 117 59.834 59.834 61.660 -1.826 25645 804 1 3 . 1 1 117 117 VAL CB C 117 34.800 34.800 32.624 2.176 25645 805 1 3 . 1 1 117 117 VAL H H 117 7.790 7.790 8.223 -0.433 25645 806 1 3 . 1 1 118 118 VAL N N 118 125.349 125.349 128.606 -3.257 25645 807 1 3 . 1 1 118 118 VAL HA H 118 4.676 4.676 4.374 0.302 25645 808 1 3 . 1 1 118 118 VAL CA C 118 60.349 60.349 61.663 -1.314 25645 809 1 3 . 1 1 118 118 VAL CB C 118 32.602 32.602 33.383 -0.781 25645 810 1 3 . 1 1 119 119 GLU N N 119 128.922 128.922 128.320 0.602 25645 811 1 3 . 1 1 119 119 GLU CA C 119 53.883 53.883 54.555 -0.672 25645 812 1 3 . 1 1 119 119 GLU CB C 119 32.066 32.066 33.426 -1.360 25645 813 1 3 . 1 1 119 119 GLU H H 119 9.417 9.417 8.497 0.920 25645 814 1 3 . 1 1 120 120 ILE N N 120 129.583 129.583 125.735 3.848 25645 815 1 3 . 1 1 120 120 ILE CA C 120 59.681 59.681 59.964 -0.283 25645 816 1 3 . 1 1 120 120 ILE CB C 120 40.042 40.042 39.980 0.062 25645 817 1 3 . 1 1 120 120 ILE H H 120 9.616 9.616 8.543 1.073 25645 818 1 3 . 1 1 121 121 THR N N 121 121.955 121.955 123.826 -1.871 25645 819 1 3 . 1 1 121 121 THR CA C 121 59.950 59.950 61.197 -1.247 25645 820 1 3 . 1 1 121 121 THR CB C 121 70.943 70.943 69.856 1.087 25645 821 1 3 . 1 1 121 121 THR H H 121 8.686 8.686 9.347 -0.661 25645 822 1 3 . 1 1 122 122 GLY N N 122 111.809 111.809 112.359 -0.550 25645 823 1 3 . 1 1 122 122 GLY CA C 122 43.346 43.346 45.129 -1.783 25645 824 1 3 . 1 1 122 122 GLY H H 122 6.961 6.961 8.305 -1.344 25645 825 1 3 . 1 1 123 123 LYS N N 123 122.817 122.817 124.788 -1.971 25645 826 1 3 . 1 1 123 123 LYS CA C 123 56.015 56.015 54.215 1.800 25645 827 1 3 . 1 1 123 123 LYS CB C 123 33.748 33.748 35.913 -2.166 25645 828 1 3 . 1 1 123 123 LYS H H 123 8.041 8.041 7.866 0.175 25645 829 1 3 . 1 1 124 124 HIS N N 124 122.330 122.330 121.803 0.527 25645 830 1 3 . 1 1 124 124 HIS CA C 124 53.525 53.525 54.089 -0.564 25645 831 1 3 . 1 1 124 124 HIS CB C 124 32.205 32.205 32.257 -0.051 25645 832 1 3 . 1 1 124 124 HIS H H 124 9.090 9.090 7.585 1.505 25645 833 1 3 . 1 1 125 125 GLU N N 125 122.817 122.817 121.015 1.802 25645 834 1 3 . 1 1 125 125 GLU HA H 125 4.418 4.418 4.268 0.150 25645 835 1 3 . 1 1 125 125 GLU CA C 125 54.377 54.377 56.553 -2.176 25645 836 1 3 . 1 1 125 125 GLU CB C 125 29.304 29.304 30.630 -1.326 25645 837 1 3 . 1 1 126 126 GLU N N 126 118.410 118.410 122.115 -3.705 25645 838 1 3 . 1 1 126 126 GLU HA H 126 4.155 4.155 4.023 0.132 25645 839 1 3 . 1 1 126 126 GLU CA C 126 57.815 57.815 57.913 -0.098 25645 840 1 3 . 1 1 126 126 GLU CB C 126 29.373 29.373 29.316 0.057 25645 841 1 3 . 1 1 126 126 GLU H H 126 8.800 8.800 8.740 0.060 25645 842 1 3 . 1 1 127 127 ARG N N 127 124.867 124.867 126.534 -1.667 25645 843 1 3 . 1 1 127 127 ARG HA H 127 4.880 4.880 4.742 0.138 25645 844 1 3 . 1 1 127 127 ARG CA C 127 53.544 53.544 54.498 -0.954 25645 845 1 3 . 1 1 127 127 ARG CB C 127 32.379 32.379 33.013 -0.633 25645 846 1 3 . 1 1 127 127 ARG H H 127 8.921 8.921 8.524 0.397 25645 847 1 3 . 1 1 128 128 GLN N N 128 122.883 122.883 121.455 1.428 25645 848 1 3 . 1 1 128 128 GLN HA H 128 4.503 4.503 4.351 0.152 25645 849 1 3 . 1 1 128 128 GLN CA C 128 55.175 55.175 57.152 -1.977 25645 850 1 3 . 1 1 128 128 GLN CB C 128 28.933 28.933 29.791 -0.858 25645 851 1 3 . 1 1 128 128 GLN H H 128 8.758 8.758 8.594 0.164 25645 852 1 3 . 1 1 129 129 ASP N N 129 128.171 128.171 120.361 7.810 25645 853 1 3 . 1 1 129 129 ASP CA C 129 51.655 51.655 54.107 -2.452 25645 854 1 3 . 1 1 129 129 ASP CB C 129 41.155 41.155 42.449 -1.294 25645 855 1 3 . 1 1 129 129 ASP H H 129 8.892 8.892 8.079 0.813 25645 856 1 3 . 1 1 130 130 GLU N N 130 114.822 114.822 120.020 -5.198 25645 857 1 3 . 1 1 130 130 GLU HA H 130 3.947 3.947 4.227 -0.280 25645 858 1 3 . 1 1 130 130 GLU CA C 130 58.201 58.201 57.853 0.348 25645 859 1 3 . 1 1 130 130 GLU CB C 130 28.013 28.013 30.108 -2.095 25645 860 1 3 . 1 1 130 130 GLU H H 130 8.799 8.799 8.777 0.022 25645 861 1 3 . 1 1 131 131 HIS N N 131 115.145 115.145 117.552 -2.407 25645 862 1 3 . 1 1 131 131 HIS HA H 131 4.980 4.980 4.670 0.310 25645 863 1 3 . 1 1 131 131 HIS CA C 131 55.377 55.377 55.462 -0.085 25645 864 1 3 . 1 1 131 131 HIS CB C 131 32.300 32.300 29.630 2.670 25645 865 1 3 . 1 1 131 131 HIS H H 131 7.794 7.794 8.527 -0.733 25645 866 1 3 . 1 1 132 132 GLY N N 132 108.839 108.839 108.242 0.597 25645 867 1 3 . 1 1 132 132 GLY CA C 132 45.750 45.750 44.362 1.388 25645 868 1 3 . 1 1 132 132 GLY H H 132 7.516 7.516 7.424 0.092 25645 869 1 3 . 1 1 133 133 TYR N N 133 122.032 122.032 120.263 1.769 25645 870 1 3 . 1 1 133 133 TYR CA C 133 56.072 56.072 57.476 -1.404 25645 871 1 3 . 1 1 133 133 TYR CB C 133 41.340 41.340 40.405 0.935 25645 872 1 3 . 1 1 133 133 TYR H H 133 8.355 8.355 8.086 0.269 25645 873 1 3 . 1 1 134 134 ILE N N 134 118.356 118.356 121.382 -3.026 25645 874 1 3 . 1 1 134 134 ILE CA C 134 57.630 57.630 60.295 -2.665 25645 875 1 3 . 1 1 134 134 ILE CB C 134 41.527 41.527 41.434 0.093 25645 876 1 3 . 1 1 134 134 ILE H H 134 8.949 8.949 9.368 -0.419 25645 877 1 3 . 1 1 135 135 SER N N 135 123.022 123.022 122.307 0.715 25645 878 1 3 . 1 1 135 135 SER CA C 135 56.890 56.890 57.361 -0.471 25645 879 1 3 . 1 1 135 135 SER CB C 135 65.803 65.803 64.366 1.437 25645 880 1 3 . 1 1 136 136 ARG N N 136 114.983 114.983 120.117 -5.134 25645 881 1 3 . 1 1 136 136 ARG CA C 136 55.300 55.300 55.077 0.223 25645 882 1 3 . 1 1 136 136 ARG CB C 136 36.804 36.804 33.709 3.095 25645 883 1 3 . 1 1 136 136 ARG H H 136 5.916 5.916 8.518 -2.602 25645 884 1 3 . 1 1 137 137 CYS N N 137 117.966 117.966 118.146 -0.180 25645 885 1 3 . 1 1 137 137 CYS CA C 137 55.918 55.918 56.278 -0.360 25645 886 1 3 . 1 1 137 137 CYS CB C 137 41.577 41.577 29.097 12.480 25645 887 1 3 . 1 1 137 137 CYS H H 137 9.616 9.616 8.313 1.303 25645 888 1 3 . 1 1 138 138 PHE N N 138 120.959 120.959 125.961 -5.002 25645 889 1 3 . 1 1 138 138 PHE CA C 138 57.921 57.921 57.585 0.336 25645 890 1 3 . 1 1 138 138 PHE CB C 138 40.796 40.796 41.471 -0.675 25645 891 1 3 . 1 1 138 138 PHE H H 138 9.306 9.306 9.699 -0.393 25645 892 1 3 . 1 1 139 139 THR N N 139 115.870 115.870 119.232 -3.362 25645 893 1 3 . 1 1 139 139 THR CA C 139 62.202 62.202 61.376 0.826 25645 894 1 3 . 1 1 139 139 THR CB C 139 71.765 71.765 69.893 1.872 25645 895 1 3 . 1 1 139 139 THR H H 139 8.336 8.336 8.508 -0.172 25645 896 1 3 . 1 1 140 140 ARG N N 140 129.223 129.223 127.417 1.806 25645 897 1 3 . 1 1 140 140 ARG CA C 140 53.286 53.286 55.357 -2.071 25645 898 1 3 . 1 1 140 140 ARG CB C 140 32.505 32.505 32.674 -0.169 25645 899 1 3 . 1 1 140 140 ARG H H 140 9.858 9.858 8.332 1.526 25645 900 1 3 . 1 1 141 141 LYS N N 141 123.968 123.968 125.993 -2.025 25645 901 1 3 . 1 1 141 141 LYS HA H 141 5.677 5.677 5.043 0.634 25645 902 1 3 . 1 1 141 141 LYS CA C 141 53.931 53.931 56.003 -2.072 25645 903 1 3 . 1 1 141 141 LYS CB C 141 35.675 35.675 34.101 1.574 25645 904 1 3 . 1 1 141 141 LYS H H 141 8.788 8.788 8.882 -0.094 25645 905 1 3 . 1 1 142 142 TYR N N 142 121.120 121.120 128.121 -7.001 25645 906 1 3 . 1 1 142 142 TYR CA C 142 55.983 55.983 55.324 0.659 25645 907 1 3 . 1 1 142 142 TYR CB C 142 41.189 41.189 38.861 2.328 25645 908 1 3 . 1 1 142 142 TYR H H 142 9.335 9.335 9.693 -0.358 25645 909 1 3 . 1 1 143 143 THR N N 143 119.260 119.260 121.706 -2.446 25645 910 1 3 . 1 1 143 143 THR CA C 143 62.091 62.091 62.546 -0.455 25645 911 1 3 . 1 1 143 143 THR CB C 143 68.728 68.728 68.547 0.181 25645 912 1 3 . 1 1 143 143 THR H H 143 8.907 8.907 8.567 0.340 25645 913 1 3 . 1 1 144 144 LEU N N 144 128.655 128.655 128.428 0.227 25645 914 1 3 . 1 1 144 144 LEU CA C 144 52.057 52.057 51.668 0.389 25645 915 1 3 . 1 1 144 144 LEU CB C 144 40.611 40.611 42.798 -2.187 25645 916 1 3 . 1 1 144 144 LEU H H 144 8.190 8.190 8.278 -0.088 25645 917 1 3 . 1 1 146 146 PRO CA C 146 62.697 62.697 64.210 -1.513 25645 918 1 3 . 1 1 146 146 PRO CB C 146 30.337 30.337 30.205 0.132 25645 919 1 3 . 1 1 147 147 GLY N N 147 109.243 109.243 107.610 1.633 25645 920 1 3 . 1 1 147 147 GLY CA C 147 44.659 44.659 45.609 -0.950 25645 921 1 3 . 1 1 147 147 GLY H H 147 8.473 8.473 7.849 0.624 25645 922 1 3 . 1 1 148 148 VAL N N 148 120.323 120.323 121.509 -1.186 25645 923 1 3 . 1 1 148 148 VAL HA H 148 3.867 3.867 3.775 0.092 25645 924 1 3 . 1 1 148 148 VAL CA C 148 62.132 62.132 62.933 -0.801 25645 925 1 3 . 1 1 148 148 VAL CB C 148 30.798 30.798 32.611 -1.813 25645 926 1 3 . 1 1 148 148 VAL H H 148 7.020 7.020 7.864 -0.844 25645 927 1 3 . 1 1 149 149 ASP N N 149 130.411 130.411 127.906 2.505 25645 928 1 3 . 1 1 149 149 ASP CA C 149 49.931 49.931 53.825 -3.894 25645 929 1 3 . 1 1 149 149 ASP CB C 149 40.925 40.925 41.834 -0.909 25645 930 1 3 . 1 1 149 149 ASP H H 149 8.798 8.798 8.275 0.523 25645 931 1 3 . 1 1 150 150 PRO HA H 150 4.039 4.039 4.471 -0.432 25645 932 1 3 . 1 1 150 150 PRO CA C 150 64.379 64.379 64.251 0.128 25645 933 1 3 . 1 1 150 150 PRO CB C 150 31.158 31.158 32.657 -1.499 25645 934 1 3 . 1 1 151 151 THR N N 151 108.501 108.501 110.700 -2.199 25645 935 1 3 . 1 1 151 151 THR CA C 151 63.540 63.540 63.650 -0.110 25645 936 1 3 . 1 1 151 151 THR CB C 151 68.784 68.784 69.141 -0.357 25645 937 1 3 . 1 1 151 151 THR H H 151 8.295 8.295 8.066 0.229 25645 938 1 3 . 1 1 152 152 GLN N N 152 119.655 119.655 120.030 -0.375 25645 939 1 3 . 1 1 152 152 GLN HA H 152 4.433 4.433 4.464 -0.031 25645 940 1 3 . 1 1 152 152 GLN CA C 152 54.247 54.247 55.657 -1.409 25645 941 1 3 . 1 1 152 152 GLN CB C 152 28.118 28.118 29.559 -1.441 25645 942 1 3 . 1 1 153 153 VAL N N 153 120.424 120.424 119.956 0.468 25645 943 1 3 . 1 1 153 153 VAL HA H 153 4.584 4.584 4.120 0.464 25645 944 1 3 . 1 1 153 153 VAL CA C 153 62.129 62.129 61.895 0.234 25645 945 1 3 . 1 1 153 153 VAL CB C 153 30.632 30.632 32.032 -1.400 25645 946 1 3 . 1 1 153 153 VAL H H 153 6.881 6.881 7.876 -0.995 25645 947 1 3 . 1 1 154 154 SER N N 154 124.948 124.948 124.707 0.241 25645 948 1 3 . 1 1 154 154 SER CA C 154 56.292 56.292 57.400 -1.108 25645 949 1 3 . 1 1 154 154 SER CB C 154 66.028 66.028 64.445 1.583 25645 950 1 3 . 1 1 154 154 SER H H 154 9.507 9.507 8.401 1.106 25645 951 1 3 . 1 1 155 155 SER N N 155 114.211 114.211 115.735 -1.524 25645 952 1 3 . 1 1 155 155 SER CA C 155 56.407 56.407 57.316 -0.909 25645 953 1 3 . 1 1 155 155 SER CB C 155 66.880 66.880 66.128 0.752 25645 954 1 3 . 1 1 155 155 SER H H 155 8.390 8.390 8.132 0.258 25645 955 1 3 . 1 1 156 156 SER N N 156 114.400 114.400 119.833 -5.433 25645 956 1 3 . 1 1 156 156 SER CA C 156 57.035 57.035 57.818 -0.783 25645 957 1 3 . 1 1 156 156 SER CB C 156 65.136 65.136 64.737 0.399 25645 958 1 3 . 1 1 156 156 SER H H 156 8.679 8.679 8.952 -0.273 25645 959 1 3 . 1 1 157 157 LEU N N 157 127.132 127.132 125.886 1.246 25645 960 1 3 . 1 1 157 157 LEU CA C 157 52.943 52.943 53.828 -0.885 25645 961 1 3 . 1 1 157 157 LEU CB C 157 43.606 43.606 45.395 -1.789 25645 962 1 3 . 1 1 157 157 LEU H H 157 8.623 8.623 8.542 0.081 25645 963 1 3 . 1 1 158 158 SER N N 158 124.449 124.449 121.523 2.926 25645 964 1 3 . 1 1 158 158 SER CA C 158 55.551 55.551 54.830 0.721 25645 965 1 3 . 1 1 158 158 SER CB C 158 63.266 63.266 64.892 -1.626 25645 966 1 3 . 1 1 158 158 SER H H 158 8.926 8.926 8.201 0.725 25645 967 1 3 . 1 1 159 159 PRO CA C 159 64.391 64.391 64.641 -0.250 25645 968 1 3 . 1 1 159 159 PRO CB C 159 30.274 30.274 31.834 -1.560 25645 969 1 3 . 1 1 160 160 GLU N N 160 113.862 113.862 115.595 -1.733 25645 970 1 3 . 1 1 160 160 GLU HA H 160 4.315 4.315 3.668 0.647 25645 971 1 3 . 1 1 160 160 GLU CA C 160 56.071 56.071 55.678 0.393 25645 972 1 3 . 1 1 160 160 GLU CB C 160 28.031 28.031 28.068 -0.037 25645 973 1 3 . 1 1 160 160 GLU H H 160 7.884 7.884 8.095 -0.211 25645 974 1 3 . 1 1 161 161 GLY N N 161 108.198 108.198 108.657 -0.459 25645 975 1 3 . 1 1 161 161 GLY CA C 161 45.836 45.836 45.985 -0.149 25645 976 1 3 . 1 1 161 161 GLY H H 161 8.093 8.093 7.678 0.415 25645 977 1 3 . 1 1 162 162 THR N N 162 113.714 113.714 115.282 -1.568 25645 978 1 3 . 1 1 162 162 THR CA C 162 61.051 61.051 61.481 -0.430 25645 979 1 3 . 1 1 162 162 THR CB C 162 68.924 68.924 68.718 0.206 25645 980 1 3 . 1 1 162 162 THR H H 162 7.436 7.436 7.383 0.053 25645 981 1 3 . 1 1 163 163 LEU N N 163 106.660 106.660 132.073 -25.413 25645 982 1 3 . 1 1 163 163 LEU CA C 163 53.400 53.400 52.427 0.973 25645 983 1 3 . 1 1 163 163 LEU CB C 163 43.882 43.882 43.157 0.724 25645 984 1 3 . 1 1 163 163 LEU H H 163 9.571 9.571 8.416 1.155 25645 985 1 3 . 1 1 164 164 THR N N 164 123.931 123.931 121.932 1.999 25645 986 1 3 . 1 1 164 164 THR CA C 164 61.246 61.246 60.906 0.341 25645 987 1 3 . 1 1 164 164 THR CB C 164 70.034 70.034 69.253 0.781 25645 988 1 3 . 1 1 164 164 THR H H 164 9.165 9.165 9.081 0.084 25645 989 1 3 . 1 1 165 165 VAL N N 165 128.872 128.872 121.702 7.170 25645 990 1 3 . 1 1 165 165 VAL HA H 165 4.887 4.887 4.944 -0.057 25645 991 1 3 . 1 1 165 165 VAL CA C 165 60.037 60.037 59.944 0.093 25645 992 1 3 . 1 1 165 165 VAL CB C 165 32.397 32.397 32.341 0.056 25645 993 1 3 . 1 1 165 165 VAL H H 165 8.892 8.892 9.232 -0.340 25645 994 1 3 . 1 1 166 166 GLU N N 166 122.017 122.017 127.577 -5.560 25645 995 1 3 . 1 1 166 166 GLU HA H 166 5.976 5.976 5.622 0.354 25645 996 1 3 . 1 1 166 166 GLU CA C 166 53.604 53.604 54.343 -0.739 25645 997 1 3 . 1 1 166 166 GLU CB C 166 34.427 34.427 31.341 3.086 25645 998 1 3 . 1 1 166 166 GLU H H 166 8.973 8.973 8.346 0.627 25645 999 1 3 . 1 1 167 167 ALA N N 167 121.099 121.099 125.447 -4.348 25645 1000 1 3 . 1 1 167 167 ALA CA C 167 49.696 49.696 49.974 -0.278 25645 1001 1 3 . 1 1 167 167 ALA CB C 167 21.689 21.689 22.118 -0.429 25645 1002 1 3 . 1 1 167 167 ALA H H 167 9.464 9.464 9.056 0.408 25645 1003 1 3 . 1 1 168 168 PRO HA H 168 4.644 4.644 4.777 -0.133 25645 1004 1 3 . 1 1 168 168 PRO CA C 168 62.139 62.139 62.620 -0.481 25645 1005 1 3 . 1 1 168 168 PRO CB C 168 30.564 30.564 30.867 -0.303 25645 1006 1 3 . 1 1 169 169 MET N N 169 120.747 120.747 121.992 -1.245 25645 1007 1 3 . 1 1 169 169 MET CA C 169 51.702 51.702 51.881 -0.179 25645 1008 1 3 . 1 1 169 169 MET CB C 169 31.123 31.123 32.461 -1.338 25645 1009 1 3 . 1 1 169 169 MET H H 169 7.726 7.726 7.714 0.012 25645 1010 1 3 . 1 1 170 170 PRO HA H 170 4.401 4.401 4.166 0.235 25645 1011 1 3 . 1 1 170 170 PRO CA C 170 62.148 62.148 62.656 -0.508 25645 1012 1 3 . 1 1 170 170 PRO CB C 170 30.765 30.765 30.282 0.483 25645 1013 1 3 . 1 1 171 171 LYS N N 171 123.033 123.033 125.177 -2.144 25645 1014 1 3 . 1 1 171 171 LYS HA H 171 4.300 4.300 3.858 0.442 25645 1015 1 3 . 1 1 171 171 LYS CA C 171 55.621 55.621 57.019 -1.397 25645 1016 1 3 . 1 1 171 171 LYS CB C 171 31.856 31.856 31.270 0.586 25645 1017 1 3 . 1 1 171 171 LYS H H 171 8.296 8.296 8.056 0.239 25645 1018 1 3 . 1 1 172 172 LEU N N 172 124.281 124.281 127.771 -3.490 25645 1019 1 3 . 1 1 172 172 LEU CA C 172 54.400 54.400 57.034 -2.634 25645 1020 1 3 . 1 1 172 172 LEU CB C 172 41.389 41.389 42.518 -1.129 25645 1021 1 3 . 1 1 172 172 LEU H H 172 8.262 8.262 8.347 -0.085 25645 1022 1 3 . 1 1 173 173 ALA N N 173 125.260 125.260 118.357 6.903 25645 1023 1 3 . 1 1 173 173 ALA CA C 173 51.903 51.903 54.289 -2.386 25645 1024 1 3 . 1 1 173 173 ALA CB C 173 17.894 17.894 16.921 0.973 25645 1025 1 3 . 1 1 173 173 ALA H H 173 8.343 8.343 8.309 0.034 25645 1026 1 3 . 1 1 174 174 THR N N 174 112.925 112.925 118.106 -5.181 25645 1027 1 3 . 1 1 174 174 THR CA C 174 61.562 61.562 63.091 -1.529 25645 1028 1 3 . 1 1 174 174 THR CB C 174 69.156 69.156 66.977 2.179 25645 1029 1 3 . 1 1 174 174 THR H H 174 7.990 7.990 8.488 -0.498 25645 1030 1 3 . 1 1 175 175 GLN HA H 175 4.425 4.425 4.039 0.386 25645 1031 1 3 . 1 1 175 175 GLN CA C 175 55.430 55.430 57.224 -1.794 25645 1032 1 3 . 1 1 175 175 GLN CB C 175 28.460 28.460 28.522 -0.062 25645 1033 1 4 . 1 1 80 80 GLN CA C 80 55.036 55.036 56.421 -1.385 25645 1034 1 4 . 1 1 80 80 GLN CB C 80 28.313 28.313 27.149 1.163 25645 1035 1 4 . 1 1 81 81 LEU N N 81 125.126 125.126 120.117 5.009 25645 1036 1 4 . 1 1 81 81 LEU CB C 81 41.212 41.212 43.362 -2.150 25645 1037 1 4 . 1 1 81 81 LEU H H 81 8.563 8.563 8.478 0.085 25645 1038 1 4 . 1 1 84 84 GLY CA C 84 44.806 44.806 44.230 0.576 25645 1039 1 4 . 1 1 85 85 VAL N N 85 120.010 120.010 121.143 -1.133 25645 1040 1 4 . 1 1 85 85 VAL CA C 85 62.182 62.182 61.622 0.560 25645 1041 1 4 . 1 1 85 85 VAL CB C 85 31.766 31.766 29.643 2.123 25645 1042 1 4 . 1 1 85 85 VAL H H 85 7.975 7.975 7.703 0.272 25645 1043 1 4 . 1 1 86 86 SER CA C 86 57.128 57.128 58.950 -1.822 25645 1044 1 4 . 1 1 86 86 SER CB C 86 63.886 63.886 62.982 0.904 25645 1045 1 4 . 1 1 87 87 GLU N N 87 124.764 124.764 119.809 4.955 25645 1046 1 4 . 1 1 87 87 GLU CA C 87 55.702 55.702 57.988 -2.286 25645 1047 1 4 . 1 1 88 88 ILE CA C 88 59.909 59.909 61.230 -1.321 25645 1048 1 4 . 1 1 88 88 ILE CB C 88 35.909 35.909 39.154 -3.245 25645 1049 1 4 . 1 1 89 89 ARG N N 89 126.800 126.800 125.310 1.490 25645 1050 1 4 . 1 1 89 89 ARG CA C 89 54.024 54.024 55.297 -1.273 25645 1051 1 4 . 1 1 89 89 ARG CB C 89 30.285 30.285 31.224 -0.939 25645 1052 1 4 . 1 1 89 89 ARG H H 89 8.231 8.231 8.362 -0.131 25645 1053 1 4 . 1 1 93 93 ASP HA H 93 4.745 4.745 4.577 0.168 25645 1054 1 4 . 1 1 93 93 ASP CA C 93 53.541 53.541 53.836 -0.295 25645 1055 1 4 . 1 1 93 93 ASP CB C 93 41.335 41.335 41.914 -0.579 25645 1056 1 4 . 1 1 94 94 ARG N N 94 121.910 121.910 118.601 3.309 25645 1057 1 4 . 1 1 94 94 ARG HA H 94 4.823 4.823 4.595 0.228 25645 1058 1 4 . 1 1 94 94 ARG CA C 94 54.982 54.982 55.262 -0.280 25645 1059 1 4 . 1 1 94 94 ARG CB C 94 32.387 32.387 31.933 0.455 25645 1060 1 4 . 1 1 94 94 ARG H H 94 7.811 7.811 8.254 -0.443 25645 1061 1 4 . 1 1 95 95 TRP N N 95 129.134 129.134 127.107 2.027 25645 1062 1 4 . 1 1 95 95 TRP CA C 95 55.731 55.731 56.201 -0.470 25645 1063 1 4 . 1 1 95 95 TRP CB C 95 29.371 29.371 31.505 -2.134 25645 1064 1 4 . 1 1 95 95 TRP H H 95 9.067 9.067 9.486 -0.419 25645 1065 1 4 . 1 1 96 96 ARG HA H 96 5.022 5.022 4.889 0.133 25645 1066 1 4 . 1 1 96 96 ARG CA C 96 55.252 55.252 55.426 -0.174 25645 1067 1 4 . 1 1 96 96 ARG CB C 96 32.455 32.455 30.837 1.618 25645 1068 1 4 . 1 1 97 97 VAL N N 97 119.924 119.924 127.683 -7.759 25645 1069 1 4 . 1 1 97 97 VAL HA H 97 4.474 4.474 4.413 0.061 25645 1070 1 4 . 1 1 97 97 VAL CA C 97 58.208 58.208 60.330 -2.122 25645 1071 1 4 . 1 1 97 97 VAL CB C 97 34.114 34.114 36.547 -2.433 25645 1072 1 4 . 1 1 97 97 VAL H H 97 8.316 8.316 9.081 -0.765 25645 1073 1 4 . 1 1 98 98 SER N N 98 116.475 116.475 118.428 -1.953 25645 1074 1 4 . 1 1 98 98 SER CA C 98 56.851 56.851 57.237 -0.386 25645 1075 1 4 . 1 1 98 98 SER CB C 98 66.291 66.291 65.470 0.821 25645 1076 1 4 . 1 1 99 99 LEU N N 99 122.870 122.870 125.428 -2.558 25645 1077 1 4 . 1 1 99 99 LEU CA C 99 53.560 53.560 54.450 -0.890 25645 1078 1 4 . 1 1 99 99 LEU CB C 99 44.394 44.394 44.925 -0.530 25645 1079 1 4 . 1 1 99 99 LEU H H 99 9.161 9.161 9.291 -0.130 25645 1080 1 4 . 1 1 100 100 ASP CA C 100 53.766 53.766 54.430 -0.664 25645 1081 1 4 . 1 1 100 100 ASP CB C 100 39.856 39.856 42.020 -2.164 25645 1082 1 4 . 1 1 101 101 VAL N N 101 121.612 121.612 118.558 3.054 25645 1083 1 4 . 1 1 101 101 VAL CA C 101 58.728 58.728 63.898 -5.170 25645 1084 1 4 . 1 1 101 101 VAL CB C 101 30.010 30.010 32.433 -2.423 25645 1085 1 4 . 1 1 101 101 VAL H H 101 8.484 8.484 7.860 0.624 25645 1086 1 4 . 1 1 102 102 ASN N N 102 118.997 118.997 119.819 -0.822 25645 1087 1 4 . 1 1 102 102 ASN CA C 102 56.518 56.518 54.533 1.985 25645 1088 1 4 . 1 1 102 102 ASN CB C 102 38.488 38.488 37.283 1.205 25645 1089 1 4 . 1 1 102 102 ASN H H 102 8.010 8.010 8.482 -0.472 25645 1090 1 4 . 1 1 103 103 HIS N N 103 114.123 114.123 118.857 -4.734 25645 1091 1 4 . 1 1 103 103 HIS HA H 103 4.290 4.290 4.151 0.139 25645 1092 1 4 . 1 1 103 103 HIS CA C 103 57.386 57.386 58.548 -1.162 25645 1093 1 4 . 1 1 103 103 HIS CB C 103 29.639 29.639 28.827 0.812 25645 1094 1 4 . 1 1 103 103 HIS H H 103 7.817 7.817 7.634 0.183 25645 1095 1 4 . 1 1 104 104 PHE N N 104 117.452 117.452 115.575 1.877 25645 1096 1 4 . 1 1 104 104 PHE CA C 104 57.411 57.411 57.913 -0.502 25645 1097 1 4 . 1 1 104 104 PHE CB C 104 40.120 40.120 39.980 0.140 25645 1098 1 4 . 1 1 104 104 PHE H H 104 8.315 8.315 7.407 0.908 25645 1099 1 4 . 1 1 105 105 ALA N N 105 126.820 126.820 122.721 4.099 25645 1100 1 4 . 1 1 105 105 ALA CA C 105 49.383 49.383 49.672 -0.289 25645 1101 1 4 . 1 1 105 105 ALA CB C 105 17.252 17.252 19.524 -2.272 25645 1102 1 4 . 1 1 105 105 ALA H H 105 9.290 9.290 8.295 0.995 25645 1103 1 4 . 1 1 106 106 PRO CA C 106 65.904 65.904 64.163 1.741 25645 1104 1 4 . 1 1 106 106 PRO CB C 106 30.445 30.445 32.359 -1.914 25645 1105 1 4 . 1 1 107 107 ASP N N 107 110.250 110.250 119.501 -9.251 25645 1106 1 4 . 1 1 107 107 ASP CA C 107 53.849 53.849 55.447 -1.598 25645 1107 1 4 . 1 1 107 107 ASP CB C 107 38.993 38.993 41.105 -2.111 25645 1108 1 4 . 1 1 107 107 ASP H H 107 8.122 8.122 8.429 -0.307 25645 1109 1 4 . 1 1 108 108 GLU N N 108 120.254 120.254 121.193 -0.939 25645 1110 1 4 . 1 1 108 108 GLU CA C 108 55.584 55.584 55.648 -0.064 25645 1111 1 4 . 1 1 108 108 GLU CB C 108 28.838 28.838 28.562 0.276 25645 1112 1 4 . 1 1 108 108 GLU H H 108 8.164 8.164 8.415 -0.251 25645 1113 1 4 . 1 1 109 109 LEU N N 109 120.135 120.135 121.106 -0.971 25645 1114 1 4 . 1 1 109 109 LEU CA C 109 52.717 52.717 53.372 -0.655 25645 1115 1 4 . 1 1 109 109 LEU CB C 109 45.419 45.419 45.721 -0.302 25645 1116 1 4 . 1 1 109 109 LEU H H 109 7.113 7.113 7.572 -0.459 25645 1117 1 4 . 1 1 110 110 THR N N 110 115.508 115.508 121.938 -6.430 25645 1118 1 4 . 1 1 110 110 THR CA C 110 60.148 60.148 61.022 -0.874 25645 1119 1 4 . 1 1 110 110 THR CB C 110 71.203 71.203 70.238 0.965 25645 1120 1 4 . 1 1 111 111 VAL N N 111 124.271 124.271 127.704 -3.433 25645 1121 1 4 . 1 1 111 111 VAL HA H 111 4.824 4.824 4.365 0.459 25645 1122 1 4 . 1 1 111 111 VAL CA C 111 61.069 61.069 61.150 -0.081 25645 1123 1 4 . 1 1 111 111 VAL CB C 111 32.613 32.613 31.745 0.867 25645 1124 1 4 . 1 1 111 111 VAL H H 111 8.448 8.448 8.793 -0.345 25645 1125 1 4 . 1 1 112 112 LYS N N 112 127.684 127.684 129.145 -1.461 25645 1126 1 4 . 1 1 112 112 LYS CA C 112 54.406 54.406 54.701 -0.295 25645 1127 1 4 . 1 1 112 112 LYS CB C 112 35.342 35.342 34.608 0.734 25645 1128 1 4 . 1 1 112 112 LYS H H 112 9.060 9.060 8.346 0.714 25645 1129 1 4 . 1 1 113 113 THR N N 113 118.383 118.383 120.328 -1.945 25645 1130 1 4 . 1 1 113 113 THR CA C 113 60.487 60.487 62.510 -2.023 25645 1131 1 4 . 1 1 113 113 THR CB C 113 68.992 68.992 69.049 -0.057 25645 1132 1 4 . 1 1 113 113 THR H H 113 8.536 8.536 8.714 -0.178 25645 1133 1 4 . 1 1 114 114 LYS N N 114 125.354 125.354 127.619 -2.265 25645 1134 1 4 . 1 1 114 114 LYS CA C 114 55.481 55.481 54.732 0.749 25645 1135 1 4 . 1 1 114 114 LYS CB C 114 33.686 33.686 33.014 0.672 25645 1136 1 4 . 1 1 114 114 LYS H H 114 8.650 8.650 9.145 -0.495 25645 1137 1 4 . 1 1 115 115 ASP N N 115 124.373 124.373 125.519 -1.146 25645 1138 1 4 . 1 1 115 115 ASP HA H 115 4.373 4.373 4.331 0.042 25645 1139 1 4 . 1 1 115 115 ASP CA C 115 55.485 55.485 55.721 -0.236 25645 1140 1 4 . 1 1 115 115 ASP CB C 115 39.176 39.176 40.218 -1.042 25645 1141 1 4 . 1 1 115 115 ASP H H 115 9.018 9.018 8.967 0.051 25645 1142 1 4 . 1 1 116 116 GLY N N 116 105.265 105.265 106.338 -1.073 25645 1143 1 4 . 1 1 116 116 GLY CA C 116 45.343 45.343 45.047 0.296 25645 1144 1 4 . 1 1 116 116 GLY H H 116 8.677 8.677 8.796 -0.119 25645 1145 1 4 . 1 1 117 117 VAL N N 117 120.174 120.174 122.079 -1.905 25645 1146 1 4 . 1 1 117 117 VAL HA H 117 5.008 5.008 4.714 0.294 25645 1147 1 4 . 1 1 117 117 VAL CA C 117 59.834 59.834 60.475 -0.641 25645 1148 1 4 . 1 1 117 117 VAL CB C 117 34.800 34.800 31.989 2.811 25645 1149 1 4 . 1 1 117 117 VAL H H 117 7.790 7.790 8.184 -0.394 25645 1150 1 4 . 1 1 118 118 VAL N N 118 125.349 125.349 129.036 -3.687 25645 1151 1 4 . 1 1 118 118 VAL HA H 118 4.676 4.676 4.371 0.305 25645 1152 1 4 . 1 1 118 118 VAL CA C 118 60.349 60.349 61.942 -1.593 25645 1153 1 4 . 1 1 118 118 VAL CB C 118 32.602 32.602 33.089 -0.486 25645 1154 1 4 . 1 1 119 119 GLU N N 119 128.922 128.922 127.468 1.454 25645 1155 1 4 . 1 1 119 119 GLU CA C 119 53.883 53.883 54.516 -0.633 25645 1156 1 4 . 1 1 119 119 GLU CB C 119 32.066 32.066 34.151 -2.086 25645 1157 1 4 . 1 1 119 119 GLU H H 119 9.417 9.417 8.301 1.116 25645 1158 1 4 . 1 1 120 120 ILE N N 120 129.583 129.583 125.129 4.454 25645 1159 1 4 . 1 1 120 120 ILE CA C 120 59.681 59.681 59.585 0.096 25645 1160 1 4 . 1 1 120 120 ILE CB C 120 40.042 40.042 40.101 -0.059 25645 1161 1 4 . 1 1 120 120 ILE H H 120 9.616 9.616 8.208 1.408 25645 1162 1 4 . 1 1 121 121 THR N N 121 121.955 121.955 124.962 -3.007 25645 1163 1 4 . 1 1 121 121 THR CA C 121 59.950 59.950 60.980 -1.030 25645 1164 1 4 . 1 1 121 121 THR CB C 121 70.943 70.943 68.894 2.050 25645 1165 1 4 . 1 1 121 121 THR H H 121 8.686 8.686 8.742 -0.056 25645 1166 1 4 . 1 1 122 122 GLY N N 122 111.809 111.809 113.562 -1.753 25645 1167 1 4 . 1 1 122 122 GLY CA C 122 43.346 43.346 44.711 -1.365 25645 1168 1 4 . 1 1 122 122 GLY H H 122 6.961 6.961 8.452 -1.491 25645 1169 1 4 . 1 1 123 123 LYS N N 123 122.817 122.817 125.650 -2.833 25645 1170 1 4 . 1 1 123 123 LYS CA C 123 56.015 56.015 54.624 1.391 25645 1171 1 4 . 1 1 123 123 LYS CB C 123 33.748 33.748 36.229 -2.481 25645 1172 1 4 . 1 1 123 123 LYS H H 123 8.041 8.041 7.859 0.182 25645 1173 1 4 . 1 1 124 124 HIS N N 124 122.330 122.330 122.690 -0.360 25645 1174 1 4 . 1 1 124 124 HIS CA C 124 53.525 53.525 54.373 -0.848 25645 1175 1 4 . 1 1 124 124 HIS CB C 124 32.205 32.205 32.259 -0.054 25645 1176 1 4 . 1 1 124 124 HIS H H 124 9.090 9.090 8.422 0.668 25645 1177 1 4 . 1 1 125 125 GLU N N 125 122.817 122.817 127.299 -4.482 25645 1178 1 4 . 1 1 125 125 GLU HA H 125 4.418 4.418 4.147 0.271 25645 1179 1 4 . 1 1 125 125 GLU CA C 125 54.377 54.377 56.918 -2.541 25645 1180 1 4 . 1 1 125 125 GLU CB C 125 29.304 29.304 30.443 -1.139 25645 1181 1 4 . 1 1 126 126 GLU N N 126 118.410 118.410 119.266 -0.856 25645 1182 1 4 . 1 1 126 126 GLU HA H 126 4.155 4.155 3.866 0.289 25645 1183 1 4 . 1 1 126 126 GLU CA C 126 57.815 57.815 58.063 -0.248 25645 1184 1 4 . 1 1 126 126 GLU CB C 126 29.373 29.373 29.551 -0.178 25645 1185 1 4 . 1 1 126 126 GLU H H 126 8.800 8.800 8.443 0.357 25645 1186 1 4 . 1 1 127 127 ARG N N 127 124.867 124.867 125.188 -0.321 25645 1187 1 4 . 1 1 127 127 ARG HA H 127 4.880 4.880 4.519 0.361 25645 1188 1 4 . 1 1 127 127 ARG CA C 127 53.544 53.544 54.474 -0.930 25645 1189 1 4 . 1 1 127 127 ARG CB C 127 32.379 32.379 32.515 -0.136 25645 1190 1 4 . 1 1 127 127 ARG H H 127 8.921 8.921 8.093 0.828 25645 1191 1 4 . 1 1 128 128 GLN N N 128 122.883 122.883 122.808 0.075 25645 1192 1 4 . 1 1 128 128 GLN HA H 128 4.503 4.503 4.598 -0.095 25645 1193 1 4 . 1 1 128 128 GLN CA C 128 55.175 55.175 55.587 -0.412 25645 1194 1 4 . 1 1 128 128 GLN CB C 128 28.933 28.933 29.731 -0.798 25645 1195 1 4 . 1 1 128 128 GLN H H 128 8.758 8.758 8.619 0.139 25645 1196 1 4 . 1 1 129 129 ASP N N 129 128.171 128.171 128.131 0.040 25645 1197 1 4 . 1 1 129 129 ASP CA C 129 51.655 51.655 53.257 -1.602 25645 1198 1 4 . 1 1 129 129 ASP CB C 129 41.155 41.155 43.683 -2.528 25645 1199 1 4 . 1 1 129 129 ASP H H 129 8.892 8.892 8.644 0.248 25645 1200 1 4 . 1 1 130 130 GLU N N 130 114.822 114.822 120.942 -6.120 25645 1201 1 4 . 1 1 130 130 GLU HA H 130 3.947 3.947 4.074 -0.127 25645 1202 1 4 . 1 1 130 130 GLU CA C 130 58.201 58.201 58.589 -0.388 25645 1203 1 4 . 1 1 130 130 GLU CB C 130 28.013 28.013 29.220 -1.207 25645 1204 1 4 . 1 1 130 130 GLU H H 130 8.799 8.799 9.020 -0.221 25645 1205 1 4 . 1 1 131 131 HIS N N 131 115.145 115.145 115.270 -0.125 25645 1206 1 4 . 1 1 131 131 HIS HA H 131 4.980 4.980 4.724 0.256 25645 1207 1 4 . 1 1 131 131 HIS CA C 131 55.377 55.377 55.560 -0.183 25645 1208 1 4 . 1 1 131 131 HIS CB C 131 32.300 32.300 30.227 2.073 25645 1209 1 4 . 1 1 131 131 HIS H H 131 7.794 7.794 8.160 -0.366 25645 1210 1 4 . 1 1 132 132 GLY N N 132 108.839 108.839 107.591 1.248 25645 1211 1 4 . 1 1 132 132 GLY CA C 132 45.750 45.750 44.588 1.162 25645 1212 1 4 . 1 1 132 132 GLY H H 132 7.516 7.516 7.901 -0.385 25645 1213 1 4 . 1 1 133 133 TYR N N 133 122.032 122.032 119.678 2.354 25645 1214 1 4 . 1 1 133 133 TYR CA C 133 56.072 56.072 56.171 -0.099 25645 1215 1 4 . 1 1 133 133 TYR CB C 133 41.340 41.340 38.983 2.357 25645 1216 1 4 . 1 1 133 133 TYR H H 133 8.355 8.355 8.027 0.328 25645 1217 1 4 . 1 1 134 134 ILE N N 134 118.356 118.356 127.012 -8.656 25645 1218 1 4 . 1 1 134 134 ILE CA C 134 57.630 57.630 60.453 -2.823 25645 1219 1 4 . 1 1 134 134 ILE CB C 134 41.527 41.527 39.619 1.908 25645 1220 1 4 . 1 1 134 134 ILE H H 134 8.949 8.949 7.943 1.006 25645 1221 1 4 . 1 1 135 135 SER N N 135 123.022 123.022 123.578 -0.556 25645 1222 1 4 . 1 1 135 135 SER CA C 135 56.890 56.890 57.683 -0.793 25645 1223 1 4 . 1 1 135 135 SER CB C 135 65.803 65.803 64.939 0.864 25645 1224 1 4 . 1 1 136 136 ARG N N 136 114.983 114.983 123.394 -8.411 25645 1225 1 4 . 1 1 136 136 ARG CA C 136 55.300 55.300 54.409 0.891 25645 1226 1 4 . 1 1 136 136 ARG CB C 136 36.804 36.804 32.205 4.599 25645 1227 1 4 . 1 1 136 136 ARG H H 136 5.916 5.916 8.611 -2.695 25645 1228 1 4 . 1 1 137 137 CYS N N 137 117.966 117.966 117.940 0.026 25645 1229 1 4 . 1 1 137 137 CYS CA C 137 55.918 55.918 57.136 -1.218 25645 1230 1 4 . 1 1 137 137 CYS CB C 137 41.577 41.577 28.903 12.674 25645 1231 1 4 . 1 1 137 137 CYS H H 137 9.616 9.616 8.201 1.415 25645 1232 1 4 . 1 1 138 138 PHE N N 138 120.959 120.959 125.167 -4.208 25645 1233 1 4 . 1 1 138 138 PHE CA C 138 57.921 57.921 57.977 -0.056 25645 1234 1 4 . 1 1 138 138 PHE CB C 138 40.796 40.796 41.567 -0.771 25645 1235 1 4 . 1 1 138 138 PHE H H 138 9.306 9.306 9.480 -0.174 25645 1236 1 4 . 1 1 139 139 THR N N 139 115.870 115.870 117.361 -1.491 25645 1237 1 4 . 1 1 139 139 THR CA C 139 62.202 62.202 60.947 1.255 25645 1238 1 4 . 1 1 139 139 THR CB C 139 71.765 71.765 69.876 1.889 25645 1239 1 4 . 1 1 139 139 THR H H 139 8.336 8.336 8.466 -0.130 25645 1240 1 4 . 1 1 140 140 ARG N N 140 129.223 129.223 126.334 2.889 25645 1241 1 4 . 1 1 140 140 ARG CA C 140 53.286 53.286 54.758 -1.472 25645 1242 1 4 . 1 1 140 140 ARG CB C 140 32.505 32.505 31.199 1.306 25645 1243 1 4 . 1 1 140 140 ARG H H 140 9.858 9.858 8.276 1.582 25645 1244 1 4 . 1 1 141 141 LYS N N 141 123.968 123.968 126.562 -2.594 25645 1245 1 4 . 1 1 141 141 LYS HA H 141 5.677 5.677 4.914 0.763 25645 1246 1 4 . 1 1 141 141 LYS CA C 141 53.931 53.931 55.580 -1.649 25645 1247 1 4 . 1 1 141 141 LYS CB C 141 35.675 35.675 34.391 1.284 25645 1248 1 4 . 1 1 141 141 LYS H H 141 8.788 8.788 8.839 -0.051 25645 1249 1 4 . 1 1 142 142 TYR N N 142 121.120 121.120 128.194 -7.074 25645 1250 1 4 . 1 1 142 142 TYR CA C 142 55.983 55.983 54.072 1.911 25645 1251 1 4 . 1 1 142 142 TYR CB C 142 41.189 41.189 38.501 2.688 25645 1252 1 4 . 1 1 142 142 TYR H H 142 9.335 9.335 9.556 -0.221 25645 1253 1 4 . 1 1 143 143 THR N N 143 119.260 119.260 121.969 -2.709 25645 1254 1 4 . 1 1 143 143 THR CA C 143 62.091 62.091 62.093 -0.002 25645 1255 1 4 . 1 1 143 143 THR CB C 143 68.728 68.728 67.924 0.803 25645 1256 1 4 . 1 1 143 143 THR H H 143 8.907 8.907 8.539 0.368 25645 1257 1 4 . 1 1 144 144 LEU N N 144 128.655 128.655 127.647 1.008 25645 1258 1 4 . 1 1 144 144 LEU CA C 144 52.057 52.057 51.847 0.210 25645 1259 1 4 . 1 1 144 144 LEU CB C 144 40.611 40.611 42.730 -2.119 25645 1260 1 4 . 1 1 144 144 LEU H H 144 8.190 8.190 7.813 0.377 25645 1261 1 4 . 1 1 146 146 PRO CA C 146 62.697 62.697 64.212 -1.515 25645 1262 1 4 . 1 1 146 146 PRO CB C 146 30.337 30.337 30.184 0.153 25645 1263 1 4 . 1 1 147 147 GLY N N 147 109.243 109.243 107.431 1.812 25645 1264 1 4 . 1 1 147 147 GLY CA C 147 44.659 44.659 45.700 -1.040 25645 1265 1 4 . 1 1 147 147 GLY H H 147 8.473 8.473 7.936 0.537 25645 1266 1 4 . 1 1 148 148 VAL N N 148 120.323 120.323 123.230 -2.907 25645 1267 1 4 . 1 1 148 148 VAL HA H 148 3.867 3.867 3.793 0.074 25645 1268 1 4 . 1 1 148 148 VAL CA C 148 62.132 62.132 63.392 -1.260 25645 1269 1 4 . 1 1 148 148 VAL CB C 148 30.798 30.798 32.275 -1.477 25645 1270 1 4 . 1 1 148 148 VAL H H 148 7.020 7.020 7.797 -0.777 25645 1271 1 4 . 1 1 149 149 ASP N N 149 130.411 130.411 124.570 5.841 25645 1272 1 4 . 1 1 149 149 ASP CA C 149 49.931 49.931 53.707 -3.776 25645 1273 1 4 . 1 1 149 149 ASP CB C 149 40.925 40.925 40.429 0.496 25645 1274 1 4 . 1 1 149 149 ASP H H 149 8.798 8.798 8.345 0.453 25645 1275 1 4 . 1 1 150 150 PRO HA H 150 4.039 4.039 4.314 -0.275 25645 1276 1 4 . 1 1 150 150 PRO CA C 150 64.379 64.379 64.631 -0.252 25645 1277 1 4 . 1 1 150 150 PRO CB C 150 31.158 31.158 31.985 -0.827 25645 1278 1 4 . 1 1 151 151 THR N N 151 108.501 108.501 107.559 0.942 25645 1279 1 4 . 1 1 151 151 THR CA C 151 63.540 63.540 63.620 -0.080 25645 1280 1 4 . 1 1 151 151 THR CB C 151 68.784 68.784 68.224 0.560 25645 1281 1 4 . 1 1 151 151 THR H H 151 8.295 8.295 8.482 -0.187 25645 1282 1 4 . 1 1 152 152 GLN N N 152 119.655 119.655 118.742 0.913 25645 1283 1 4 . 1 1 152 152 GLN HA H 152 4.433 4.433 4.503 -0.070 25645 1284 1 4 . 1 1 152 152 GLN CA C 152 54.247 54.247 55.208 -0.961 25645 1285 1 4 . 1 1 152 152 GLN CB C 152 28.118 28.118 30.380 -2.262 25645 1286 1 4 . 1 1 153 153 VAL N N 153 120.424 120.424 122.292 -1.868 25645 1287 1 4 . 1 1 153 153 VAL HA H 153 4.584 4.584 4.151 0.433 25645 1288 1 4 . 1 1 153 153 VAL CA C 153 62.129 62.129 62.051 0.078 25645 1289 1 4 . 1 1 153 153 VAL CB C 153 30.632 30.632 31.143 -0.511 25645 1290 1 4 . 1 1 153 153 VAL H H 153 6.881 6.881 7.529 -0.648 25645 1291 1 4 . 1 1 154 154 SER N N 154 124.948 124.948 123.337 1.611 25645 1292 1 4 . 1 1 154 154 SER CA C 154 56.292 56.292 57.486 -1.194 25645 1293 1 4 . 1 1 154 154 SER CB C 154 66.028 66.028 64.306 1.722 25645 1294 1 4 . 1 1 154 154 SER H H 154 9.507 9.507 8.221 1.286 25645 1295 1 4 . 1 1 155 155 SER N N 155 114.211 114.211 115.267 -1.056 25645 1296 1 4 . 1 1 155 155 SER CA C 155 56.407 56.407 57.264 -0.857 25645 1297 1 4 . 1 1 155 155 SER CB C 155 66.880 66.880 66.527 0.353 25645 1298 1 4 . 1 1 155 155 SER H H 155 8.390 8.390 8.170 0.220 25645 1299 1 4 . 1 1 156 156 SER N N 156 114.400 114.400 118.570 -4.170 25645 1300 1 4 . 1 1 156 156 SER CA C 156 57.035 57.035 57.614 -0.579 25645 1301 1 4 . 1 1 156 156 SER CB C 156 65.136 65.136 65.414 -0.278 25645 1302 1 4 . 1 1 156 156 SER H H 156 8.679 8.679 8.993 -0.314 25645 1303 1 4 . 1 1 157 157 LEU N N 157 127.132 127.132 123.975 3.157 25645 1304 1 4 . 1 1 157 157 LEU CA C 157 52.943 52.943 54.113 -1.170 25645 1305 1 4 . 1 1 157 157 LEU CB C 157 43.606 43.606 45.604 -1.998 25645 1306 1 4 . 1 1 157 157 LEU H H 157 8.623 8.623 8.427 0.196 25645 1307 1 4 . 1 1 158 158 SER N N 158 124.449 124.449 121.457 2.992 25645 1308 1 4 . 1 1 158 158 SER CA C 158 55.551 55.551 54.666 0.885 25645 1309 1 4 . 1 1 158 158 SER CB C 158 63.266 63.266 64.670 -1.404 25645 1310 1 4 . 1 1 158 158 SER H H 158 8.926 8.926 8.528 0.398 25645 1311 1 4 . 1 1 159 159 PRO CA C 159 64.391 64.391 65.122 -0.731 25645 1312 1 4 . 1 1 159 159 PRO CB C 159 30.274 30.274 31.821 -1.547 25645 1313 1 4 . 1 1 160 160 GLU N N 160 113.862 113.862 116.770 -2.908 25645 1314 1 4 . 1 1 160 160 GLU HA H 160 4.315 4.315 4.191 0.124 25645 1315 1 4 . 1 1 160 160 GLU CA C 160 56.071 56.071 55.971 0.100 25645 1316 1 4 . 1 1 160 160 GLU CB C 160 28.031 28.031 27.264 0.767 25645 1317 1 4 . 1 1 160 160 GLU H H 160 7.884 7.884 8.485 -0.601 25645 1318 1 4 . 1 1 161 161 GLY N N 161 108.198 108.198 106.561 1.637 25645 1319 1 4 . 1 1 161 161 GLY CA C 161 45.836 45.836 45.757 0.079 25645 1320 1 4 . 1 1 161 161 GLY H H 161 8.093 8.093 7.928 0.165 25645 1321 1 4 . 1 1 162 162 THR N N 162 113.714 113.714 115.785 -2.071 25645 1322 1 4 . 1 1 162 162 THR CA C 162 61.051 61.051 60.907 0.144 25645 1323 1 4 . 1 1 162 162 THR CB C 162 68.924 68.924 69.858 -0.934 25645 1324 1 4 . 1 1 162 162 THR H H 162 7.436 7.436 7.410 0.026 25645 1325 1 4 . 1 1 163 163 LEU N N 163 106.660 106.660 132.379 -25.719 25645 1326 1 4 . 1 1 163 163 LEU CA C 163 53.400 53.400 52.676 0.724 25645 1327 1 4 . 1 1 163 163 LEU CB C 163 43.882 43.882 43.962 -0.080 25645 1328 1 4 . 1 1 163 163 LEU H H 163 9.571 9.571 9.117 0.454 25645 1329 1 4 . 1 1 164 164 THR N N 164 123.931 123.931 120.799 3.132 25645 1330 1 4 . 1 1 164 164 THR CA C 164 61.246 61.246 60.845 0.401 25645 1331 1 4 . 1 1 164 164 THR CB C 164 70.034 70.034 69.513 0.521 25645 1332 1 4 . 1 1 164 164 THR H H 164 9.165 9.165 9.027 0.138 25645 1333 1 4 . 1 1 165 165 VAL N N 165 128.872 128.872 121.635 7.237 25645 1334 1 4 . 1 1 165 165 VAL HA H 165 4.887 4.887 5.006 -0.119 25645 1335 1 4 . 1 1 165 165 VAL CA C 165 60.037 60.037 59.892 0.145 25645 1336 1 4 . 1 1 165 165 VAL CB C 165 32.397 32.397 34.654 -2.256 25645 1337 1 4 . 1 1 165 165 VAL H H 165 8.892 8.892 9.311 -0.419 25645 1338 1 4 . 1 1 166 166 GLU N N 166 122.017 122.017 128.687 -6.670 25645 1339 1 4 . 1 1 166 166 GLU HA H 166 5.976 5.976 5.346 0.630 25645 1340 1 4 . 1 1 166 166 GLU CA C 166 53.604 53.604 53.957 -0.353 25645 1341 1 4 . 1 1 166 166 GLU CB C 166 34.427 34.427 32.235 2.192 25645 1342 1 4 . 1 1 166 166 GLU H H 166 8.973 8.973 8.599 0.374 25645 1343 1 4 . 1 1 167 167 ALA N N 167 121.099 121.099 124.559 -3.460 25645 1344 1 4 . 1 1 167 167 ALA CA C 167 49.696 49.696 50.125 -0.429 25645 1345 1 4 . 1 1 167 167 ALA CB C 167 21.689 21.689 21.852 -0.163 25645 1346 1 4 . 1 1 167 167 ALA H H 167 9.464 9.464 8.302 1.162 25645 1347 1 4 . 1 1 168 168 PRO HA H 168 4.644 4.644 5.074 -0.430 25645 1348 1 4 . 1 1 168 168 PRO CA C 168 62.139 62.139 62.286 -0.147 25645 1349 1 4 . 1 1 168 168 PRO CB C 168 30.564 30.564 31.001 -0.437 25645 1350 1 4 . 1 1 169 169 MET N N 169 120.747 120.747 123.264 -2.517 25645 1351 1 4 . 1 1 169 169 MET CA C 169 51.702 51.702 51.701 0.001 25645 1352 1 4 . 1 1 169 169 MET CB C 169 31.123 31.123 33.210 -2.087 25645 1353 1 4 . 1 1 169 169 MET H H 169 7.726 7.726 7.867 -0.141 25645 1354 1 4 . 1 1 170 170 PRO HA H 170 4.401 4.401 4.408 -0.007 25645 1355 1 4 . 1 1 170 170 PRO CA C 170 62.148 62.148 62.925 -0.777 25645 1356 1 4 . 1 1 170 170 PRO CB C 170 30.765 30.765 31.416 -0.651 25645 1357 1 4 . 1 1 171 171 LYS N N 171 123.033 123.033 125.891 -2.858 25645 1358 1 4 . 1 1 171 171 LYS HA H 171 4.300 4.300 4.100 0.200 25645 1359 1 4 . 1 1 171 171 LYS CA C 171 55.621 55.621 56.154 -0.533 25645 1360 1 4 . 1 1 171 171 LYS CB C 171 31.856 31.856 31.486 0.370 25645 1361 1 4 . 1 1 171 171 LYS H H 171 8.296 8.296 8.413 -0.117 25645 1362 1 4 . 1 1 172 172 LEU N N 172 124.281 124.281 126.307 -2.026 25645 1363 1 4 . 1 1 172 172 LEU CA C 172 54.400 54.400 55.637 -1.237 25645 1364 1 4 . 1 1 172 172 LEU CB C 172 41.389 41.389 40.683 0.706 25645 1365 1 4 . 1 1 172 172 LEU H H 172 8.262 8.262 8.299 -0.037 25645 1366 1 4 . 1 1 173 173 ALA N N 173 125.260 125.260 125.131 0.129 25645 1367 1 4 . 1 1 173 173 ALA CA C 173 51.903 51.903 52.706 -0.803 25645 1368 1 4 . 1 1 173 173 ALA CB C 173 17.894 17.894 20.395 -2.501 25645 1369 1 4 . 1 1 173 173 ALA H H 173 8.343 8.343 8.753 -0.410 25645 1370 1 4 . 1 1 174 174 THR N N 174 112.925 112.925 114.445 -1.520 25645 1371 1 4 . 1 1 174 174 THR CA C 174 61.562 61.562 62.761 -1.199 25645 1372 1 4 . 1 1 174 174 THR CB C 174 69.156 69.156 66.305 2.851 25645 1373 1 4 . 1 1 174 174 THR H H 174 7.990 7.990 7.970 0.020 25645 1374 1 4 . 1 1 175 175 GLN HA H 175 4.425 4.425 4.168 0.257 25645 1375 1 4 . 1 1 175 175 GLN CA C 175 55.430 55.430 56.337 -0.907 25645 1376 1 4 . 1 1 175 175 GLN CB C 175 28.460 28.460 27.537 0.923 25645 1377 1 5 . 1 1 80 80 GLN CA C 80 55.036 55.036 54.760 0.276 25645 1378 1 5 . 1 1 80 80 GLN CB C 80 28.313 28.313 29.936 -1.623 25645 1379 1 5 . 1 1 81 81 LEU N N 81 125.126 125.126 122.803 2.323 25645 1380 1 5 . 1 1 81 81 LEU CB C 81 41.212 41.212 39.225 1.987 25645 1381 1 5 . 1 1 81 81 LEU H H 81 8.563 8.563 8.454 0.109 25645 1382 1 5 . 1 1 84 84 GLY CA C 84 44.806 44.806 45.519 -0.713 25645 1383 1 5 . 1 1 85 85 VAL N N 85 120.010 120.010 120.654 -0.644 25645 1384 1 5 . 1 1 85 85 VAL CA C 85 62.182 62.182 61.893 0.289 25645 1385 1 5 . 1 1 85 85 VAL CB C 85 31.766 31.766 29.465 2.301 25645 1386 1 5 . 1 1 85 85 VAL H H 85 7.975 7.975 8.316 -0.341 25645 1387 1 5 . 1 1 86 86 SER CA C 86 57.128 57.128 58.637 -1.509 25645 1388 1 5 . 1 1 86 86 SER CB C 86 63.886 63.886 64.068 -0.182 25645 1389 1 5 . 1 1 87 87 GLU N N 87 124.764 124.764 125.072 -0.308 25645 1390 1 5 . 1 1 87 87 GLU CA C 87 55.702 55.702 55.738 -0.036 25645 1391 1 5 . 1 1 88 88 ILE CA C 88 59.909 59.909 61.578 -1.669 25645 1392 1 5 . 1 1 88 88 ILE CB C 88 35.909 35.909 35.388 0.521 25645 1393 1 5 . 1 1 89 89 ARG N N 89 126.800 126.800 122.993 3.807 25645 1394 1 5 . 1 1 89 89 ARG CA C 89 54.024 54.024 57.443 -3.418 25645 1395 1 5 . 1 1 89 89 ARG CB C 89 30.285 30.285 30.453 -0.168 25645 1396 1 5 . 1 1 89 89 ARG H H 89 8.231 8.231 8.512 -0.281 25645 1397 1 5 . 1 1 93 93 ASP HA H 93 4.745 4.745 4.514 0.231 25645 1398 1 5 . 1 1 93 93 ASP CA C 93 53.541 53.541 52.718 0.823 25645 1399 1 5 . 1 1 93 93 ASP CB C 93 41.335 41.335 41.429 -0.094 25645 1400 1 5 . 1 1 94 94 ARG N N 94 121.910 121.910 119.070 2.840 25645 1401 1 5 . 1 1 94 94 ARG HA H 94 4.823 4.823 4.533 0.290 25645 1402 1 5 . 1 1 94 94 ARG CA C 94 54.982 54.982 55.529 -0.547 25645 1403 1 5 . 1 1 94 94 ARG CB C 94 32.387 32.387 29.212 3.175 25645 1404 1 5 . 1 1 94 94 ARG H H 94 7.811 7.811 8.637 -0.826 25645 1405 1 5 . 1 1 95 95 TRP N N 95 129.134 129.134 127.535 1.599 25645 1406 1 5 . 1 1 95 95 TRP CA C 95 55.731 55.731 56.282 -0.551 25645 1407 1 5 . 1 1 95 95 TRP CB C 95 29.371 29.371 31.526 -2.155 25645 1408 1 5 . 1 1 95 95 TRP H H 95 9.067 9.067 9.276 -0.209 25645 1409 1 5 . 1 1 96 96 ARG HA H 96 5.022 5.022 4.870 0.152 25645 1410 1 5 . 1 1 96 96 ARG CA C 96 55.252 55.252 55.182 0.070 25645 1411 1 5 . 1 1 96 96 ARG CB C 96 32.455 32.455 31.203 1.252 25645 1412 1 5 . 1 1 97 97 VAL N N 97 119.924 119.924 127.706 -7.782 25645 1413 1 5 . 1 1 97 97 VAL HA H 97 4.474 4.474 4.381 0.093 25645 1414 1 5 . 1 1 97 97 VAL CA C 97 58.208 58.208 59.993 -1.785 25645 1415 1 5 . 1 1 97 97 VAL CB C 97 34.114 34.114 35.163 -1.049 25645 1416 1 5 . 1 1 97 97 VAL H H 97 8.316 8.316 8.791 -0.475 25645 1417 1 5 . 1 1 98 98 SER N N 98 116.475 116.475 117.383 -0.908 25645 1418 1 5 . 1 1 98 98 SER CA C 98 56.851 56.851 57.368 -0.517 25645 1419 1 5 . 1 1 98 98 SER CB C 98 66.291 66.291 65.237 1.054 25645 1420 1 5 . 1 1 99 99 LEU N N 99 122.870 122.870 125.465 -2.595 25645 1421 1 5 . 1 1 99 99 LEU CA C 99 53.560 53.560 53.974 -0.414 25645 1422 1 5 . 1 1 99 99 LEU CB C 99 44.394 44.394 42.721 1.673 25645 1423 1 5 . 1 1 99 99 LEU H H 99 9.161 9.161 9.266 -0.105 25645 1424 1 5 . 1 1 100 100 ASP CA C 100 53.766 53.766 55.957 -2.191 25645 1425 1 5 . 1 1 100 100 ASP CB C 100 39.856 39.856 40.963 -1.107 25645 1426 1 5 . 1 1 101 101 VAL N N 101 121.612 121.612 117.530 4.082 25645 1427 1 5 . 1 1 101 101 VAL CA C 101 58.728 58.728 62.704 -3.976 25645 1428 1 5 . 1 1 101 101 VAL CB C 101 30.010 30.010 32.459 -2.449 25645 1429 1 5 . 1 1 101 101 VAL H H 101 8.484 8.484 8.641 -0.157 25645 1430 1 5 . 1 1 102 102 ASN N N 102 118.997 118.997 119.862 -0.865 25645 1431 1 5 . 1 1 102 102 ASN CA C 102 56.518 56.518 54.728 1.790 25645 1432 1 5 . 1 1 102 102 ASN CB C 102 38.488 38.488 38.008 0.479 25645 1433 1 5 . 1 1 102 102 ASN H H 102 8.010 8.010 8.318 -0.308 25645 1434 1 5 . 1 1 103 103 HIS N N 103 114.123 114.123 117.252 -3.129 25645 1435 1 5 . 1 1 103 103 HIS HA H 103 4.290 4.290 4.411 -0.121 25645 1436 1 5 . 1 1 103 103 HIS CA C 103 57.386 57.386 57.980 -0.594 25645 1437 1 5 . 1 1 103 103 HIS CB C 103 29.639 29.639 28.265 1.374 25645 1438 1 5 . 1 1 103 103 HIS H H 103 7.817 7.817 7.663 0.154 25645 1439 1 5 . 1 1 104 104 PHE N N 104 117.452 117.452 118.937 -1.485 25645 1440 1 5 . 1 1 104 104 PHE CA C 104 57.411 57.411 58.926 -1.515 25645 1441 1 5 . 1 1 104 104 PHE CB C 104 40.120 40.120 40.259 -0.139 25645 1442 1 5 . 1 1 104 104 PHE H H 104 8.315 8.315 7.778 0.537 25645 1443 1 5 . 1 1 105 105 ALA N N 105 126.820 126.820 121.949 4.871 25645 1444 1 5 . 1 1 105 105 ALA CA C 105 49.383 49.383 48.912 0.471 25645 1445 1 5 . 1 1 105 105 ALA CB C 105 17.252 17.252 18.981 -1.729 25645 1446 1 5 . 1 1 105 105 ALA H H 105 9.290 9.290 8.139 1.151 25645 1447 1 5 . 1 1 106 106 PRO CA C 106 65.904 65.904 64.583 1.321 25645 1448 1 5 . 1 1 106 106 PRO CB C 106 30.445 30.445 32.341 -1.896 25645 1449 1 5 . 1 1 107 107 ASP N N 107 110.250 110.250 119.427 -9.177 25645 1450 1 5 . 1 1 107 107 ASP CA C 107 53.849 53.849 55.551 -1.702 25645 1451 1 5 . 1 1 107 107 ASP CB C 107 38.993 38.993 40.812 -1.819 25645 1452 1 5 . 1 1 107 107 ASP H H 107 8.122 8.122 8.656 -0.534 25645 1453 1 5 . 1 1 108 108 GLU N N 108 120.254 120.254 120.942 -0.688 25645 1454 1 5 . 1 1 108 108 GLU CA C 108 55.584 55.584 56.044 -0.460 25645 1455 1 5 . 1 1 108 108 GLU CB C 108 28.838 28.838 28.122 0.716 25645 1456 1 5 . 1 1 108 108 GLU H H 108 8.164 8.164 8.546 -0.382 25645 1457 1 5 . 1 1 109 109 LEU N N 109 120.135 120.135 122.778 -2.643 25645 1458 1 5 . 1 1 109 109 LEU CA C 109 52.717 52.717 53.599 -0.882 25645 1459 1 5 . 1 1 109 109 LEU CB C 109 45.419 45.419 45.780 -0.361 25645 1460 1 5 . 1 1 109 109 LEU H H 109 7.113 7.113 7.598 -0.485 25645 1461 1 5 . 1 1 110 110 THR N N 110 115.508 115.508 122.288 -6.780 25645 1462 1 5 . 1 1 110 110 THR CA C 110 60.148 60.148 60.761 -0.613 25645 1463 1 5 . 1 1 110 110 THR CB C 110 71.203 71.203 70.572 0.631 25645 1464 1 5 . 1 1 111 111 VAL N N 111 124.271 124.271 126.642 -2.371 25645 1465 1 5 . 1 1 111 111 VAL HA H 111 4.824 4.824 4.262 0.562 25645 1466 1 5 . 1 1 111 111 VAL CA C 111 61.069 61.069 61.491 -0.422 25645 1467 1 5 . 1 1 111 111 VAL CB C 111 32.613 32.613 32.137 0.476 25645 1468 1 5 . 1 1 111 111 VAL H H 111 8.448 8.448 8.758 -0.310 25645 1469 1 5 . 1 1 112 112 LYS N N 112 127.684 127.684 129.310 -1.626 25645 1470 1 5 . 1 1 112 112 LYS CA C 112 54.406 54.406 54.905 -0.499 25645 1471 1 5 . 1 1 112 112 LYS CB C 112 35.342 35.342 34.513 0.829 25645 1472 1 5 . 1 1 112 112 LYS H H 112 9.060 9.060 8.541 0.519 25645 1473 1 5 . 1 1 113 113 THR N N 113 118.383 118.383 120.182 -1.799 25645 1474 1 5 . 1 1 113 113 THR CA C 113 60.487 60.487 61.832 -1.345 25645 1475 1 5 . 1 1 113 113 THR CB C 113 68.992 68.992 69.418 -0.426 25645 1476 1 5 . 1 1 113 113 THR H H 113 8.536 8.536 8.596 -0.060 25645 1477 1 5 . 1 1 114 114 LYS N N 114 125.354 125.354 126.774 -1.420 25645 1478 1 5 . 1 1 114 114 LYS CA C 114 55.481 55.481 55.117 0.364 25645 1479 1 5 . 1 1 114 114 LYS CB C 114 33.686 33.686 33.742 -0.056 25645 1480 1 5 . 1 1 114 114 LYS H H 114 8.650 8.650 8.987 -0.337 25645 1481 1 5 . 1 1 115 115 ASP N N 115 124.373 124.373 128.654 -4.281 25645 1482 1 5 . 1 1 115 115 ASP HA H 115 4.373 4.373 4.368 0.005 25645 1483 1 5 . 1 1 115 115 ASP CA C 115 55.485 55.485 55.498 -0.013 25645 1484 1 5 . 1 1 115 115 ASP CB C 115 39.176 39.176 39.891 -0.715 25645 1485 1 5 . 1 1 115 115 ASP H H 115 9.018 9.018 9.143 -0.125 25645 1486 1 5 . 1 1 116 116 GLY N N 116 105.265 105.265 104.287 0.978 25645 1487 1 5 . 1 1 116 116 GLY CA C 116 45.343 45.343 45.092 0.251 25645 1488 1 5 . 1 1 116 116 GLY H H 116 8.677 8.677 8.160 0.517 25645 1489 1 5 . 1 1 117 117 VAL N N 117 120.174 120.174 122.106 -1.932 25645 1490 1 5 . 1 1 117 117 VAL HA H 117 5.008 5.008 4.535 0.473 25645 1491 1 5 . 1 1 117 117 VAL CA C 117 59.834 59.834 62.859 -3.025 25645 1492 1 5 . 1 1 117 117 VAL CB C 117 34.800 34.800 32.428 2.372 25645 1493 1 5 . 1 1 117 117 VAL H H 117 7.790 7.790 8.274 -0.484 25645 1494 1 5 . 1 1 118 118 VAL N N 118 125.349 125.349 129.703 -4.354 25645 1495 1 5 . 1 1 118 118 VAL HA H 118 4.676 4.676 4.325 0.351 25645 1496 1 5 . 1 1 118 118 VAL CA C 118 60.349 60.349 62.266 -1.917 25645 1497 1 5 . 1 1 118 118 VAL CB C 118 32.602 32.602 32.689 -0.087 25645 1498 1 5 . 1 1 119 119 GLU N N 119 128.922 128.922 129.193 -0.271 25645 1499 1 5 . 1 1 119 119 GLU CA C 119 53.883 53.883 54.376 -0.493 25645 1500 1 5 . 1 1 119 119 GLU CB C 119 32.066 32.066 33.521 -1.455 25645 1501 1 5 . 1 1 119 119 GLU H H 119 9.417 9.417 8.372 1.045 25645 1502 1 5 . 1 1 120 120 ILE N N 120 129.583 129.583 124.684 4.899 25645 1503 1 5 . 1 1 120 120 ILE CA C 120 59.681 59.681 57.935 1.746 25645 1504 1 5 . 1 1 120 120 ILE CB C 120 40.042 40.042 39.149 0.893 25645 1505 1 5 . 1 1 120 120 ILE H H 120 9.616 9.616 8.440 1.176 25645 1506 1 5 . 1 1 121 121 THR N N 121 121.955 121.955 121.931 0.024 25645 1507 1 5 . 1 1 121 121 THR CA C 121 59.950 59.950 61.035 -1.085 25645 1508 1 5 . 1 1 121 121 THR CB C 121 70.943 70.943 70.144 0.799 25645 1509 1 5 . 1 1 121 121 THR H H 121 8.686 8.686 8.862 -0.176 25645 1510 1 5 . 1 1 122 122 GLY N N 122 111.809 111.809 113.142 -1.333 25645 1511 1 5 . 1 1 122 122 GLY CA C 122 43.346 43.346 44.653 -1.307 25645 1512 1 5 . 1 1 122 122 GLY H H 122 6.961 6.961 8.591 -1.630 25645 1513 1 5 . 1 1 123 123 LYS N N 123 122.817 122.817 125.560 -2.743 25645 1514 1 5 . 1 1 123 123 LYS CA C 123 56.015 56.015 54.556 1.459 25645 1515 1 5 . 1 1 123 123 LYS CB C 123 33.748 33.748 35.374 -1.626 25645 1516 1 5 . 1 1 123 123 LYS H H 123 8.041 8.041 7.912 0.129 25645 1517 1 5 . 1 1 124 124 HIS N N 124 122.330 122.330 124.424 -2.094 25645 1518 1 5 . 1 1 124 124 HIS CA C 124 53.525 53.525 54.970 -1.445 25645 1519 1 5 . 1 1 124 124 HIS CB C 124 32.205 32.205 33.246 -1.041 25645 1520 1 5 . 1 1 124 124 HIS H H 124 9.090 9.090 8.294 0.796 25645 1521 1 5 . 1 1 125 125 GLU N N 125 122.817 122.817 124.905 -2.088 25645 1522 1 5 . 1 1 125 125 GLU HA H 125 4.418 4.418 4.117 0.301 25645 1523 1 5 . 1 1 125 125 GLU CA C 125 54.377 54.377 56.804 -2.427 25645 1524 1 5 . 1 1 125 125 GLU CB C 125 29.304 29.304 30.475 -1.171 25645 1525 1 5 . 1 1 126 126 GLU N N 126 118.410 118.410 119.855 -1.445 25645 1526 1 5 . 1 1 126 126 GLU HA H 126 4.155 4.155 4.075 0.080 25645 1527 1 5 . 1 1 126 126 GLU CA C 126 57.815 57.815 58.093 -0.278 25645 1528 1 5 . 1 1 126 126 GLU CB C 126 29.373 29.373 29.544 -0.171 25645 1529 1 5 . 1 1 126 126 GLU H H 126 8.800 8.800 8.550 0.250 25645 1530 1 5 . 1 1 127 127 ARG N N 127 124.867 124.867 125.098 -0.231 25645 1531 1 5 . 1 1 127 127 ARG HA H 127 4.880 4.880 4.580 0.300 25645 1532 1 5 . 1 1 127 127 ARG CA C 127 53.544 53.544 54.356 -0.812 25645 1533 1 5 . 1 1 127 127 ARG CB C 127 32.379 32.379 32.049 0.330 25645 1534 1 5 . 1 1 127 127 ARG H H 127 8.921 8.921 8.405 0.516 25645 1535 1 5 . 1 1 128 128 GLN N N 128 122.883 122.883 124.082 -1.199 25645 1536 1 5 . 1 1 128 128 GLN HA H 128 4.503 4.503 4.465 0.038 25645 1537 1 5 . 1 1 128 128 GLN CA C 128 55.175 55.175 55.781 -0.606 25645 1538 1 5 . 1 1 128 128 GLN CB C 128 28.933 28.933 29.674 -0.741 25645 1539 1 5 . 1 1 128 128 GLN H H 128 8.758 8.758 8.621 0.137 25645 1540 1 5 . 1 1 129 129 ASP N N 129 128.171 128.171 127.770 0.401 25645 1541 1 5 . 1 1 129 129 ASP CA C 129 51.655 51.655 53.141 -1.486 25645 1542 1 5 . 1 1 129 129 ASP CB C 129 41.155 41.155 44.269 -3.114 25645 1543 1 5 . 1 1 129 129 ASP H H 129 8.892 8.892 8.893 -0.001 25645 1544 1 5 . 1 1 130 130 GLU N N 130 114.822 114.822 120.522 -5.700 25645 1545 1 5 . 1 1 130 130 GLU HA H 130 3.947 3.947 3.943 0.004 25645 1546 1 5 . 1 1 130 130 GLU CA C 130 58.201 58.201 57.992 0.209 25645 1547 1 5 . 1 1 130 130 GLU CB C 130 28.013 28.013 29.028 -1.015 25645 1548 1 5 . 1 1 130 130 GLU H H 130 8.799 8.799 8.888 -0.089 25645 1549 1 5 . 1 1 131 131 HIS N N 131 115.145 115.145 114.874 0.271 25645 1550 1 5 . 1 1 131 131 HIS HA H 131 4.980 4.980 4.880 0.100 25645 1551 1 5 . 1 1 131 131 HIS CA C 131 55.377 55.377 55.355 0.022 25645 1552 1 5 . 1 1 131 131 HIS CB C 131 32.300 32.300 29.330 2.970 25645 1553 1 5 . 1 1 131 131 HIS H H 131 7.794 7.794 7.948 -0.154 25645 1554 1 5 . 1 1 132 132 GLY N N 132 108.839 108.839 107.981 0.858 25645 1555 1 5 . 1 1 132 132 GLY CA C 132 45.750 45.750 44.721 1.028 25645 1556 1 5 . 1 1 132 132 GLY H H 132 7.516 7.516 7.909 -0.393 25645 1557 1 5 . 1 1 133 133 TYR N N 133 122.032 122.032 120.123 1.909 25645 1558 1 5 . 1 1 133 133 TYR CA C 133 56.072 56.072 55.757 0.315 25645 1559 1 5 . 1 1 133 133 TYR CB C 133 41.340 41.340 38.992 2.348 25645 1560 1 5 . 1 1 133 133 TYR H H 133 8.355 8.355 8.229 0.126 25645 1561 1 5 . 1 1 134 134 ILE N N 134 118.356 118.356 125.366 -7.010 25645 1562 1 5 . 1 1 134 134 ILE CA C 134 57.630 57.630 60.101 -2.471 25645 1563 1 5 . 1 1 134 134 ILE CB C 134 41.527 41.527 40.981 0.546 25645 1564 1 5 . 1 1 134 134 ILE H H 134 8.949 8.949 8.944 0.005 25645 1565 1 5 . 1 1 135 135 SER N N 135 123.022 123.022 122.824 0.198 25645 1566 1 5 . 1 1 135 135 SER CA C 135 56.890 56.890 57.569 -0.679 25645 1567 1 5 . 1 1 135 135 SER CB C 135 65.803 65.803 64.431 1.372 25645 1568 1 5 . 1 1 136 136 ARG N N 136 114.983 114.983 122.740 -7.757 25645 1569 1 5 . 1 1 136 136 ARG CA C 136 55.300 55.300 54.945 0.355 25645 1570 1 5 . 1 1 136 136 ARG CB C 136 36.804 36.804 33.366 3.438 25645 1571 1 5 . 1 1 136 136 ARG H H 136 5.916 5.916 8.348 -2.432 25645 1572 1 5 . 1 1 137 137 CYS N N 137 117.966 117.966 117.827 0.139 25645 1573 1 5 . 1 1 137 137 CYS CA C 137 55.918 55.918 56.292 -0.374 25645 1574 1 5 . 1 1 137 137 CYS CB C 137 41.577 41.577 29.179 12.398 25645 1575 1 5 . 1 1 137 137 CYS H H 137 9.616 9.616 8.189 1.427 25645 1576 1 5 . 1 1 138 138 PHE N N 138 120.959 120.959 124.165 -3.206 25645 1577 1 5 . 1 1 138 138 PHE CA C 138 57.921 57.921 57.697 0.225 25645 1578 1 5 . 1 1 138 138 PHE CB C 138 40.796 40.796 41.558 -0.762 25645 1579 1 5 . 1 1 138 138 PHE H H 138 9.306 9.306 9.570 -0.264 25645 1580 1 5 . 1 1 139 139 THR N N 139 115.870 115.870 118.641 -2.771 25645 1581 1 5 . 1 1 139 139 THR CA C 139 62.202 62.202 60.666 1.536 25645 1582 1 5 . 1 1 139 139 THR CB C 139 71.765 71.765 70.099 1.667 25645 1583 1 5 . 1 1 139 139 THR H H 139 8.336 8.336 8.668 -0.332 25645 1584 1 5 . 1 1 140 140 ARG N N 140 129.223 129.223 127.007 2.216 25645 1585 1 5 . 1 1 140 140 ARG CA C 140 53.286 53.286 55.087 -1.801 25645 1586 1 5 . 1 1 140 140 ARG CB C 140 32.505 32.505 31.921 0.585 25645 1587 1 5 . 1 1 140 140 ARG H H 140 9.858 9.858 8.258 1.600 25645 1588 1 5 . 1 1 141 141 LYS N N 141 123.968 123.968 126.356 -2.388 25645 1589 1 5 . 1 1 141 141 LYS HA H 141 5.677 5.677 4.996 0.681 25645 1590 1 5 . 1 1 141 141 LYS CA C 141 53.931 53.931 55.740 -1.809 25645 1591 1 5 . 1 1 141 141 LYS CB C 141 35.675 35.675 34.438 1.237 25645 1592 1 5 . 1 1 141 141 LYS H H 141 8.788 8.788 8.885 -0.097 25645 1593 1 5 . 1 1 142 142 TYR N N 142 121.120 121.120 128.163 -7.043 25645 1594 1 5 . 1 1 142 142 TYR CA C 142 55.983 55.983 55.120 0.863 25645 1595 1 5 . 1 1 142 142 TYR CB C 142 41.189 41.189 38.775 2.414 25645 1596 1 5 . 1 1 142 142 TYR H H 142 9.335 9.335 9.594 -0.259 25645 1597 1 5 . 1 1 143 143 THR N N 143 119.260 119.260 122.325 -3.065 25645 1598 1 5 . 1 1 143 143 THR CA C 143 62.091 62.091 63.416 -1.325 25645 1599 1 5 . 1 1 143 143 THR CB C 143 68.728 68.728 68.458 0.270 25645 1600 1 5 . 1 1 143 143 THR H H 143 8.907 8.907 8.950 -0.043 25645 1601 1 5 . 1 1 144 144 LEU N N 144 128.655 128.655 128.816 -0.161 25645 1602 1 5 . 1 1 144 144 LEU CA C 144 52.057 52.057 51.617 0.440 25645 1603 1 5 . 1 1 144 144 LEU CB C 144 40.611 40.611 43.368 -2.757 25645 1604 1 5 . 1 1 144 144 LEU H H 144 8.190 8.190 8.308 -0.118 25645 1605 1 5 . 1 1 146 146 PRO CA C 146 62.697 62.697 62.418 0.279 25645 1606 1 5 . 1 1 146 146 PRO CB C 146 30.337 30.337 30.085 0.252 25645 1607 1 5 . 1 1 147 147 GLY N N 147 109.243 109.243 106.094 3.149 25645 1608 1 5 . 1 1 147 147 GLY CA C 147 44.659 44.659 45.707 -1.048 25645 1609 1 5 . 1 1 147 147 GLY H H 147 8.473 8.473 7.554 0.919 25645 1610 1 5 . 1 1 148 148 VAL N N 148 120.323 120.323 121.501 -1.178 25645 1611 1 5 . 1 1 148 148 VAL HA H 148 3.867 3.867 4.267 -0.400 25645 1612 1 5 . 1 1 148 148 VAL CA C 148 62.132 62.132 61.711 0.421 25645 1613 1 5 . 1 1 148 148 VAL CB C 148 30.798 30.798 35.708 -4.910 25645 1614 1 5 . 1 1 148 148 VAL H H 148 7.020 7.020 7.228 -0.208 25645 1615 1 5 . 1 1 149 149 ASP N N 149 130.411 130.411 128.366 2.045 25645 1616 1 5 . 1 1 149 149 ASP CA C 149 49.931 49.931 51.976 -2.045 25645 1617 1 5 . 1 1 149 149 ASP CB C 149 40.925 40.925 42.871 -1.946 25645 1618 1 5 . 1 1 149 149 ASP H H 149 8.798 8.798 8.558 0.240 25645 1619 1 5 . 1 1 150 150 PRO HA H 150 4.039 4.039 4.601 -0.562 25645 1620 1 5 . 1 1 150 150 PRO CA C 150 64.379 64.379 63.846 0.533 25645 1621 1 5 . 1 1 150 150 PRO CB C 150 31.158 31.158 32.635 -1.477 25645 1622 1 5 . 1 1 151 151 THR N N 151 108.501 108.501 111.270 -2.769 25645 1623 1 5 . 1 1 151 151 THR CA C 151 63.540 63.540 63.427 0.113 25645 1624 1 5 . 1 1 151 151 THR CB C 151 68.784 68.784 69.560 -0.776 25645 1625 1 5 . 1 1 151 151 THR H H 151 8.295 8.295 8.363 -0.068 25645 1626 1 5 . 1 1 152 152 GLN N N 152 119.655 119.655 120.502 -0.847 25645 1627 1 5 . 1 1 152 152 GLN HA H 152 4.433 4.433 4.464 -0.031 25645 1628 1 5 . 1 1 152 152 GLN CA C 152 54.247 54.247 55.596 -1.349 25645 1629 1 5 . 1 1 152 152 GLN CB C 152 28.118 28.118 29.607 -1.489 25645 1630 1 5 . 1 1 153 153 VAL N N 153 120.424 120.424 120.416 0.008 25645 1631 1 5 . 1 1 153 153 VAL HA H 153 4.584 4.584 4.196 0.388 25645 1632 1 5 . 1 1 153 153 VAL CA C 153 62.129 62.129 61.453 0.676 25645 1633 1 5 . 1 1 153 153 VAL CB C 153 30.632 30.632 31.582 -0.950 25645 1634 1 5 . 1 1 153 153 VAL H H 153 6.881 6.881 7.934 -1.053 25645 1635 1 5 . 1 1 154 154 SER N N 154 124.948 124.948 123.837 1.111 25645 1636 1 5 . 1 1 154 154 SER CA C 154 56.292 56.292 57.524 -1.232 25645 1637 1 5 . 1 1 154 154 SER CB C 154 66.028 66.028 64.822 1.206 25645 1638 1 5 . 1 1 154 154 SER H H 154 9.507 9.507 8.450 1.057 25645 1639 1 5 . 1 1 155 155 SER N N 155 114.211 114.211 115.206 -0.995 25645 1640 1 5 . 1 1 155 155 SER CA C 155 56.407 56.407 57.802 -1.395 25645 1641 1 5 . 1 1 155 155 SER CB C 155 66.880 66.880 66.476 0.404 25645 1642 1 5 . 1 1 155 155 SER H H 155 8.390 8.390 8.134 0.256 25645 1643 1 5 . 1 1 156 156 SER N N 156 114.400 114.400 119.204 -4.804 25645 1644 1 5 . 1 1 156 156 SER CA C 156 57.035 57.035 57.606 -0.571 25645 1645 1 5 . 1 1 156 156 SER CB C 156 65.136 65.136 65.231 -0.095 25645 1646 1 5 . 1 1 156 156 SER H H 156 8.679 8.679 9.022 -0.343 25645 1647 1 5 . 1 1 157 157 LEU N N 157 127.132 127.132 124.334 2.798 25645 1648 1 5 . 1 1 157 157 LEU CA C 157 52.943 52.943 53.385 -0.442 25645 1649 1 5 . 1 1 157 157 LEU CB C 157 43.606 43.606 45.711 -2.105 25645 1650 1 5 . 1 1 157 157 LEU H H 157 8.623 8.623 8.378 0.245 25645 1651 1 5 . 1 1 158 158 SER N N 158 124.449 124.449 117.875 6.574 25645 1652 1 5 . 1 1 158 158 SER CA C 158 55.551 55.551 54.746 0.805 25645 1653 1 5 . 1 1 158 158 SER CB C 158 63.266 63.266 65.276 -2.010 25645 1654 1 5 . 1 1 158 158 SER H H 158 8.926 8.926 8.220 0.706 25645 1655 1 5 . 1 1 159 159 PRO CA C 159 64.391 64.391 64.754 -0.363 25645 1656 1 5 . 1 1 159 159 PRO CB C 159 30.274 30.274 31.862 -1.588 25645 1657 1 5 . 1 1 160 160 GLU N N 160 113.862 113.862 115.346 -1.484 25645 1658 1 5 . 1 1 160 160 GLU HA H 160 4.315 4.315 4.301 0.014 25645 1659 1 5 . 1 1 160 160 GLU CA C 160 56.071 56.071 55.743 0.328 25645 1660 1 5 . 1 1 160 160 GLU CB C 160 28.031 28.031 28.225 -0.194 25645 1661 1 5 . 1 1 160 160 GLU H H 160 7.884 7.884 8.242 -0.358 25645 1662 1 5 . 1 1 161 161 GLY N N 161 108.198 108.198 108.831 -0.633 25645 1663 1 5 . 1 1 161 161 GLY CA C 161 45.836 45.836 45.935 -0.099 25645 1664 1 5 . 1 1 161 161 GLY H H 161 8.093 8.093 8.401 -0.308 25645 1665 1 5 . 1 1 162 162 THR N N 162 113.714 113.714 115.545 -1.831 25645 1666 1 5 . 1 1 162 162 THR CA C 162 61.051 61.051 60.573 0.478 25645 1667 1 5 . 1 1 162 162 THR CB C 162 68.924 68.924 69.437 -0.513 25645 1668 1 5 . 1 1 162 162 THR H H 162 7.436 7.436 7.440 -0.004 25645 1669 1 5 . 1 1 163 163 LEU N N 163 106.660 106.660 131.806 -25.146 25645 1670 1 5 . 1 1 163 163 LEU CA C 163 53.400 53.400 52.768 0.632 25645 1671 1 5 . 1 1 163 163 LEU CB C 163 43.882 43.882 43.498 0.384 25645 1672 1 5 . 1 1 163 163 LEU H H 163 9.571 9.571 8.616 0.955 25645 1673 1 5 . 1 1 164 164 THR N N 164 123.931 123.931 119.914 4.017 25645 1674 1 5 . 1 1 164 164 THR CA C 164 61.246 61.246 60.317 0.929 25645 1675 1 5 . 1 1 164 164 THR CB C 164 70.034 70.034 69.923 0.111 25645 1676 1 5 . 1 1 164 164 THR H H 164 9.165 9.165 9.215 -0.050 25645 1677 1 5 . 1 1 165 165 VAL N N 165 128.872 128.872 120.786 8.086 25645 1678 1 5 . 1 1 165 165 VAL HA H 165 4.887 4.887 4.924 -0.037 25645 1679 1 5 . 1 1 165 165 VAL CA C 165 60.037 60.037 59.601 0.436 25645 1680 1 5 . 1 1 165 165 VAL CB C 165 32.397 32.397 33.138 -0.741 25645 1681 1 5 . 1 1 165 165 VAL H H 165 8.892 8.892 9.215 -0.323 25645 1682 1 5 . 1 1 166 166 GLU N N 166 122.017 122.017 126.798 -4.781 25645 1683 1 5 . 1 1 166 166 GLU HA H 166 5.976 5.976 5.553 0.423 25645 1684 1 5 . 1 1 166 166 GLU CA C 166 53.604 53.604 54.155 -0.551 25645 1685 1 5 . 1 1 166 166 GLU CB C 166 34.427 34.427 31.311 3.116 25645 1686 1 5 . 1 1 166 166 GLU H H 166 8.973 8.973 8.399 0.574 25645 1687 1 5 . 1 1 167 167 ALA N N 167 121.099 121.099 125.238 -4.139 25645 1688 1 5 . 1 1 167 167 ALA CA C 167 49.696 49.696 50.856 -1.160 25645 1689 1 5 . 1 1 167 167 ALA CB C 167 21.689 21.689 21.698 -0.009 25645 1690 1 5 . 1 1 167 167 ALA H H 167 9.464 9.464 8.978 0.486 25645 1691 1 5 . 1 1 168 168 PRO HA H 168 4.644 4.644 5.367 -0.723 25645 1692 1 5 . 1 1 168 168 PRO CA C 168 62.139 62.139 62.461 -0.322 25645 1693 1 5 . 1 1 168 168 PRO CB C 168 30.564 30.564 31.058 -0.494 25645 1694 1 5 . 1 1 169 169 MET N N 169 120.747 120.747 122.147 -1.400 25645 1695 1 5 . 1 1 169 169 MET CA C 169 51.702 51.702 52.035 -0.333 25645 1696 1 5 . 1 1 169 169 MET CB C 169 31.123 31.123 34.592 -3.469 25645 1697 1 5 . 1 1 169 169 MET H H 169 7.726 7.726 7.944 -0.218 25645 1698 1 5 . 1 1 170 170 PRO HA H 170 4.401 4.401 4.337 0.064 25645 1699 1 5 . 1 1 170 170 PRO CA C 170 62.148 62.148 62.647 -0.499 25645 1700 1 5 . 1 1 170 170 PRO CB C 170 30.765 30.765 30.539 0.226 25645 1701 1 5 . 1 1 171 171 LYS N N 171 123.033 123.033 125.273 -2.240 25645 1702 1 5 . 1 1 171 171 LYS HA H 171 4.300 4.300 3.631 0.669 25645 1703 1 5 . 1 1 171 171 LYS CA C 171 55.621 55.621 55.929 -0.309 25645 1704 1 5 . 1 1 171 171 LYS CB C 171 31.856 31.856 31.133 0.723 25645 1705 1 5 . 1 1 171 171 LYS H H 171 8.296 8.296 7.965 0.331 25645 1706 1 5 . 1 1 172 172 LEU N N 172 124.281 124.281 122.942 1.339 25645 1707 1 5 . 1 1 172 172 LEU CA C 172 54.400 54.400 56.532 -2.132 25645 1708 1 5 . 1 1 172 172 LEU CB C 172 41.389 41.389 42.081 -0.692 25645 1709 1 5 . 1 1 172 172 LEU H H 172 8.262 8.262 7.637 0.625 25645 1710 1 5 . 1 1 173 173 ALA N N 173 125.260 125.260 123.353 1.907 25645 1711 1 5 . 1 1 173 173 ALA CA C 173 51.903 51.903 52.562 -0.659 25645 1712 1 5 . 1 1 173 173 ALA CB C 173 17.894 17.894 17.212 0.682 25645 1713 1 5 . 1 1 173 173 ALA H H 173 8.343 8.343 8.666 -0.323 25645 1714 1 5 . 1 1 174 174 THR N N 174 112.925 112.925 113.472 -0.547 25645 1715 1 5 . 1 1 174 174 THR CA C 174 61.562 61.562 62.835 -1.273 25645 1716 1 5 . 1 1 174 174 THR CB C 174 69.156 69.156 69.210 -0.054 25645 1717 1 5 . 1 1 174 174 THR H H 174 7.990 7.990 8.097 -0.107 25645 1718 1 5 . 1 1 175 175 GLN HA H 175 4.425 4.425 4.513 -0.088 25645 1719 1 5 . 1 1 175 175 GLN CA C 175 55.430 55.430 54.922 0.508 25645 1720 1 5 . 1 1 175 175 GLN CB C 175 28.460 28.460 29.899 -1.439 25645 1721 1 6 . 1 1 80 80 GLN CA C 80 55.036 55.036 57.130 -2.094 25645 1722 1 6 . 1 1 80 80 GLN CB C 80 28.313 28.313 28.948 -0.635 25645 1723 1 6 . 1 1 81 81 LEU N N 81 125.126 125.126 121.283 3.843 25645 1724 1 6 . 1 1 81 81 LEU CB C 81 41.212 41.212 41.533 -0.321 25645 1725 1 6 . 1 1 81 81 LEU H H 81 8.563 8.563 8.702 -0.139 25645 1726 1 6 . 1 1 84 84 GLY CA C 84 44.806 44.806 46.255 -1.449 25645 1727 1 6 . 1 1 85 85 VAL N N 85 120.010 120.010 117.266 2.744 25645 1728 1 6 . 1 1 85 85 VAL CA C 85 62.182 62.182 63.637 -1.455 25645 1729 1 6 . 1 1 85 85 VAL CB C 85 31.766 31.766 31.685 0.081 25645 1730 1 6 . 1 1 85 85 VAL H H 85 7.975 7.975 8.415 -0.440 25645 1731 1 6 . 1 1 86 86 SER CA C 86 57.128 57.128 57.768 -0.640 25645 1732 1 6 . 1 1 86 86 SER CB C 86 63.886 63.886 64.090 -0.204 25645 1733 1 6 . 1 1 87 87 GLU N N 87 124.764 124.764 119.026 5.738 25645 1734 1 6 . 1 1 87 87 GLU CA C 87 55.702 55.702 57.292 -1.590 25645 1735 1 6 . 1 1 88 88 ILE CA C 88 59.909 59.909 61.518 -1.609 25645 1736 1 6 . 1 1 88 88 ILE CB C 88 35.909 35.909 38.880 -2.970 25645 1737 1 6 . 1 1 89 89 ARG N N 89 126.800 126.800 118.676 8.124 25645 1738 1 6 . 1 1 89 89 ARG CA C 89 54.024 54.024 57.598 -3.574 25645 1739 1 6 . 1 1 89 89 ARG CB C 89 30.285 30.285 28.666 1.619 25645 1740 1 6 . 1 1 89 89 ARG H H 89 8.231 8.231 8.532 -0.301 25645 1741 1 6 . 1 1 93 93 ASP HA H 93 4.745 4.745 4.679 0.066 25645 1742 1 6 . 1 1 93 93 ASP CA C 93 53.541 53.541 52.780 0.761 25645 1743 1 6 . 1 1 93 93 ASP CB C 93 41.335 41.335 41.618 -0.283 25645 1744 1 6 . 1 1 94 94 ARG N N 94 121.910 121.910 119.401 2.509 25645 1745 1 6 . 1 1 94 94 ARG HA H 94 4.823 4.823 4.552 0.271 25645 1746 1 6 . 1 1 94 94 ARG CA C 94 54.982 54.982 55.624 -0.642 25645 1747 1 6 . 1 1 94 94 ARG CB C 94 32.387 32.387 30.541 1.846 25645 1748 1 6 . 1 1 94 94 ARG H H 94 7.811 7.811 8.603 -0.792 25645 1749 1 6 . 1 1 95 95 TRP N N 95 129.134 129.134 125.641 3.493 25645 1750 1 6 . 1 1 95 95 TRP CA C 95 55.731 55.731 54.746 0.985 25645 1751 1 6 . 1 1 95 95 TRP CB C 95 29.371 29.371 30.876 -1.505 25645 1752 1 6 . 1 1 95 95 TRP H H 95 9.067 9.067 9.457 -0.390 25645 1753 1 6 . 1 1 96 96 ARG HA H 96 5.022 5.022 4.721 0.300 25645 1754 1 6 . 1 1 96 96 ARG CA C 96 55.252 55.252 54.986 0.266 25645 1755 1 6 . 1 1 96 96 ARG CB C 96 32.455 32.455 32.253 0.202 25645 1756 1 6 . 1 1 97 97 VAL N N 97 119.924 119.924 126.535 -6.611 25645 1757 1 6 . 1 1 97 97 VAL HA H 97 4.474 4.474 4.509 -0.035 25645 1758 1 6 . 1 1 97 97 VAL CA C 97 58.208 58.208 59.865 -1.657 25645 1759 1 6 . 1 1 97 97 VAL CB C 97 34.114 34.114 36.041 -1.927 25645 1760 1 6 . 1 1 97 97 VAL H H 97 8.316 8.316 8.495 -0.179 25645 1761 1 6 . 1 1 98 98 SER N N 98 116.475 116.475 116.311 0.164 25645 1762 1 6 . 1 1 98 98 SER CA C 98 56.851 56.851 56.160 0.691 25645 1763 1 6 . 1 1 98 98 SER CB C 98 66.291 66.291 66.067 0.224 25645 1764 1 6 . 1 1 99 99 LEU N N 99 122.870 122.870 122.607 0.263 25645 1765 1 6 . 1 1 99 99 LEU CA C 99 53.560 53.560 54.244 -0.684 25645 1766 1 6 . 1 1 99 99 LEU CB C 99 44.394 44.394 43.163 1.231 25645 1767 1 6 . 1 1 99 99 LEU H H 99 9.161 9.161 8.436 0.725 25645 1768 1 6 . 1 1 100 100 ASP CA C 100 53.766 53.766 55.857 -2.091 25645 1769 1 6 . 1 1 100 100 ASP CB C 100 39.856 39.856 39.988 -0.132 25645 1770 1 6 . 1 1 101 101 VAL N N 101 121.612 121.612 118.494 3.118 25645 1771 1 6 . 1 1 101 101 VAL CA C 101 58.728 58.728 63.234 -4.506 25645 1772 1 6 . 1 1 101 101 VAL CB C 101 30.010 30.010 33.012 -3.002 25645 1773 1 6 . 1 1 101 101 VAL H H 101 8.484 8.484 8.251 0.233 25645 1774 1 6 . 1 1 102 102 ASN N N 102 118.997 118.997 120.255 -1.258 25645 1775 1 6 . 1 1 102 102 ASN CA C 102 56.518 56.518 54.872 1.646 25645 1776 1 6 . 1 1 102 102 ASN CB C 102 38.488 38.488 38.354 0.134 25645 1777 1 6 . 1 1 102 102 ASN H H 102 8.010 8.010 7.993 0.017 25645 1778 1 6 . 1 1 103 103 HIS N N 103 114.123 114.123 119.743 -5.620 25645 1779 1 6 . 1 1 103 103 HIS HA H 103 4.290 4.290 4.280 0.010 25645 1780 1 6 . 1 1 103 103 HIS CA C 103 57.386 57.386 57.907 -0.521 25645 1781 1 6 . 1 1 103 103 HIS CB C 103 29.639 29.639 27.369 2.270 25645 1782 1 6 . 1 1 103 103 HIS H H 103 7.817 7.817 8.480 -0.663 25645 1783 1 6 . 1 1 104 104 PHE N N 104 117.452 117.452 119.424 -1.972 25645 1784 1 6 . 1 1 104 104 PHE CA C 104 57.411 57.411 59.452 -2.041 25645 1785 1 6 . 1 1 104 104 PHE CB C 104 40.120 40.120 39.258 0.862 25645 1786 1 6 . 1 1 104 104 PHE H H 104 8.315 8.315 7.670 0.645 25645 1787 1 6 . 1 1 105 105 ALA N N 105 126.820 126.820 120.534 6.286 25645 1788 1 6 . 1 1 105 105 ALA CA C 105 49.383 49.383 48.765 0.618 25645 1789 1 6 . 1 1 105 105 ALA CB C 105 17.252 17.252 19.841 -2.589 25645 1790 1 6 . 1 1 105 105 ALA H H 105 9.290 9.290 8.313 0.977 25645 1791 1 6 . 1 1 106 106 PRO CA C 106 65.904 65.904 64.514 1.390 25645 1792 1 6 . 1 1 106 106 PRO CB C 106 30.445 30.445 32.572 -2.127 25645 1793 1 6 . 1 1 107 107 ASP N N 107 110.250 110.250 119.815 -9.565 25645 1794 1 6 . 1 1 107 107 ASP CA C 107 53.849 53.849 56.187 -2.338 25645 1795 1 6 . 1 1 107 107 ASP CB C 107 38.993 38.993 40.918 -1.925 25645 1796 1 6 . 1 1 107 107 ASP H H 107 8.122 8.122 8.658 -0.536 25645 1797 1 6 . 1 1 108 108 GLU N N 108 120.254 120.254 120.423 -0.169 25645 1798 1 6 . 1 1 108 108 GLU CA C 108 55.584 55.584 56.123 -0.540 25645 1799 1 6 . 1 1 108 108 GLU CB C 108 28.838 28.838 28.129 0.709 25645 1800 1 6 . 1 1 108 108 GLU H H 108 8.164 8.164 8.543 -0.379 25645 1801 1 6 . 1 1 109 109 LEU N N 109 120.135 120.135 122.380 -2.245 25645 1802 1 6 . 1 1 109 109 LEU CA C 109 52.717 52.717 53.993 -1.276 25645 1803 1 6 . 1 1 109 109 LEU CB C 109 45.419 45.419 45.417 0.002 25645 1804 1 6 . 1 1 109 109 LEU H H 109 7.113 7.113 7.421 -0.308 25645 1805 1 6 . 1 1 110 110 THR N N 110 115.508 115.508 122.422 -6.914 25645 1806 1 6 . 1 1 110 110 THR CA C 110 60.148 60.148 61.186 -1.038 25645 1807 1 6 . 1 1 110 110 THR CB C 110 71.203 71.203 70.260 0.943 25645 1808 1 6 . 1 1 111 111 VAL N N 111 124.271 124.271 127.821 -3.550 25645 1809 1 6 . 1 1 111 111 VAL HA H 111 4.824 4.824 4.215 0.609 25645 1810 1 6 . 1 1 111 111 VAL CA C 111 61.069 61.069 62.360 -1.291 25645 1811 1 6 . 1 1 111 111 VAL CB C 111 32.613 32.613 32.409 0.204 25645 1812 1 6 . 1 1 111 111 VAL H H 111 8.448 8.448 8.813 -0.365 25645 1813 1 6 . 1 1 112 112 LYS N N 112 127.684 127.684 129.378 -1.694 25645 1814 1 6 . 1 1 112 112 LYS CA C 112 54.406 54.406 54.797 -0.391 25645 1815 1 6 . 1 1 112 112 LYS CB C 112 35.342 35.342 35.113 0.229 25645 1816 1 6 . 1 1 112 112 LYS H H 112 9.060 9.060 8.247 0.813 25645 1817 1 6 . 1 1 113 113 THR N N 113 118.383 118.383 119.065 -0.682 25645 1818 1 6 . 1 1 113 113 THR CA C 113 60.487 60.487 62.090 -1.603 25645 1819 1 6 . 1 1 113 113 THR CB C 113 68.992 68.992 69.864 -0.872 25645 1820 1 6 . 1 1 113 113 THR H H 113 8.536 8.536 8.597 -0.061 25645 1821 1 6 . 1 1 114 114 LYS N N 114 125.354 125.354 126.794 -1.440 25645 1822 1 6 . 1 1 114 114 LYS CA C 114 55.481 55.481 54.803 0.678 25645 1823 1 6 . 1 1 114 114 LYS CB C 114 33.686 33.686 33.789 -0.103 25645 1824 1 6 . 1 1 114 114 LYS H H 114 8.650 8.650 9.169 -0.519 25645 1825 1 6 . 1 1 115 115 ASP N N 115 124.373 124.373 127.709 -3.336 25645 1826 1 6 . 1 1 115 115 ASP HA H 115 4.373 4.373 4.328 0.045 25645 1827 1 6 . 1 1 115 115 ASP CA C 115 55.485 55.485 55.754 -0.269 25645 1828 1 6 . 1 1 115 115 ASP CB C 115 39.176 39.176 39.915 -0.739 25645 1829 1 6 . 1 1 115 115 ASP H H 115 9.018 9.018 9.252 -0.234 25645 1830 1 6 . 1 1 116 116 GLY N N 116 105.265 105.265 104.986 0.279 25645 1831 1 6 . 1 1 116 116 GLY CA C 116 45.343 45.343 45.030 0.313 25645 1832 1 6 . 1 1 116 116 GLY H H 116 8.677 8.677 8.688 -0.011 25645 1833 1 6 . 1 1 117 117 VAL N N 117 120.174 120.174 122.321 -2.147 25645 1834 1 6 . 1 1 117 117 VAL HA H 117 5.008 5.008 4.573 0.435 25645 1835 1 6 . 1 1 117 117 VAL CA C 117 59.834 59.834 61.908 -2.074 25645 1836 1 6 . 1 1 117 117 VAL CB C 117 34.800 34.800 32.415 2.385 25645 1837 1 6 . 1 1 117 117 VAL H H 117 7.790 7.790 8.373 -0.583 25645 1838 1 6 . 1 1 118 118 VAL N N 118 125.349 125.349 129.054 -3.705 25645 1839 1 6 . 1 1 118 118 VAL HA H 118 4.676 4.676 4.404 0.272 25645 1840 1 6 . 1 1 118 118 VAL CA C 118 60.349 60.349 61.832 -1.483 25645 1841 1 6 . 1 1 118 118 VAL CB C 118 32.602 32.602 32.996 -0.394 25645 1842 1 6 . 1 1 119 119 GLU N N 119 128.922 128.922 128.905 0.017 25645 1843 1 6 . 1 1 119 119 GLU CA C 119 53.883 53.883 54.687 -0.804 25645 1844 1 6 . 1 1 119 119 GLU CB C 119 32.066 32.066 33.453 -1.387 25645 1845 1 6 . 1 1 119 119 GLU H H 119 9.417 9.417 8.472 0.945 25645 1846 1 6 . 1 1 120 120 ILE N N 120 129.583 129.583 125.136 4.447 25645 1847 1 6 . 1 1 120 120 ILE CA C 120 59.681 59.681 58.238 1.443 25645 1848 1 6 . 1 1 120 120 ILE CB C 120 40.042 40.042 38.476 1.566 25645 1849 1 6 . 1 1 120 120 ILE H H 120 9.616 9.616 8.452 1.164 25645 1850 1 6 . 1 1 121 121 THR N N 121 121.955 121.955 121.923 0.032 25645 1851 1 6 . 1 1 121 121 THR CA C 121 59.950 59.950 61.091 -1.141 25645 1852 1 6 . 1 1 121 121 THR CB C 121 70.943 70.943 69.823 1.120 25645 1853 1 6 . 1 1 121 121 THR H H 121 8.686 8.686 9.111 -0.425 25645 1854 1 6 . 1 1 122 122 GLY N N 122 111.809 111.809 112.384 -0.575 25645 1855 1 6 . 1 1 122 122 GLY CA C 122 43.346 43.346 45.260 -1.914 25645 1856 1 6 . 1 1 122 122 GLY H H 122 6.961 6.961 8.200 -1.239 25645 1857 1 6 . 1 1 123 123 LYS N N 123 122.817 122.817 126.066 -3.249 25645 1858 1 6 . 1 1 123 123 LYS CA C 123 56.015 56.015 54.509 1.506 25645 1859 1 6 . 1 1 123 123 LYS CB C 123 33.748 33.748 34.516 -0.768 25645 1860 1 6 . 1 1 123 123 LYS H H 123 8.041 8.041 7.854 0.188 25645 1861 1 6 . 1 1 124 124 HIS N N 124 122.330 122.330 122.790 -0.460 25645 1862 1 6 . 1 1 124 124 HIS CA C 124 53.525 53.525 54.144 -0.619 25645 1863 1 6 . 1 1 124 124 HIS CB C 124 32.205 32.205 31.403 0.802 25645 1864 1 6 . 1 1 124 124 HIS H H 124 9.090 9.090 8.375 0.715 25645 1865 1 6 . 1 1 125 125 GLU N N 125 122.817 122.817 119.441 3.376 25645 1866 1 6 . 1 1 125 125 GLU HA H 125 4.418 4.418 4.194 0.224 25645 1867 1 6 . 1 1 125 125 GLU CA C 125 54.377 54.377 55.608 -1.231 25645 1868 1 6 . 1 1 125 125 GLU CB C 125 29.304 29.304 30.810 -1.506 25645 1869 1 6 . 1 1 126 126 GLU N N 126 118.410 118.410 121.503 -3.093 25645 1870 1 6 . 1 1 126 126 GLU HA H 126 4.155 4.155 3.890 0.265 25645 1871 1 6 . 1 1 126 126 GLU CA C 126 57.815 57.815 57.311 0.504 25645 1872 1 6 . 1 1 126 126 GLU CB C 126 29.373 29.373 29.010 0.363 25645 1873 1 6 . 1 1 126 126 GLU H H 126 8.800 8.800 8.585 0.215 25645 1874 1 6 . 1 1 127 127 ARG N N 127 124.867 124.867 126.113 -1.246 25645 1875 1 6 . 1 1 127 127 ARG HA H 127 4.880 4.880 4.521 0.359 25645 1876 1 6 . 1 1 127 127 ARG CA C 127 53.544 53.544 54.879 -1.335 25645 1877 1 6 . 1 1 127 127 ARG CB C 127 32.379 32.379 32.111 0.268 25645 1878 1 6 . 1 1 127 127 ARG H H 127 8.921 8.921 7.699 1.222 25645 1879 1 6 . 1 1 128 128 GLN N N 128 122.883 122.883 124.013 -1.130 25645 1880 1 6 . 1 1 128 128 GLN HA H 128 4.503 4.503 4.540 -0.037 25645 1881 1 6 . 1 1 128 128 GLN CA C 128 55.175 55.175 55.780 -0.605 25645 1882 1 6 . 1 1 128 128 GLN CB C 128 28.933 28.933 29.438 -0.505 25645 1883 1 6 . 1 1 128 128 GLN H H 128 8.758 8.758 8.623 0.135 25645 1884 1 6 . 1 1 129 129 ASP N N 129 128.171 128.171 128.345 -0.174 25645 1885 1 6 . 1 1 129 129 ASP CA C 129 51.655 51.655 52.946 -1.291 25645 1886 1 6 . 1 1 129 129 ASP CB C 129 41.155 41.155 43.343 -2.188 25645 1887 1 6 . 1 1 129 129 ASP H H 129 8.892 8.892 8.709 0.183 25645 1888 1 6 . 1 1 130 130 GLU N N 130 114.822 114.822 119.147 -4.325 25645 1889 1 6 . 1 1 130 130 GLU HA H 130 3.947 3.947 4.154 -0.207 25645 1890 1 6 . 1 1 130 130 GLU CA C 130 58.201 58.201 57.967 0.234 25645 1891 1 6 . 1 1 130 130 GLU CB C 130 28.013 28.013 30.059 -2.046 25645 1892 1 6 . 1 1 130 130 GLU H H 130 8.799 8.799 8.628 0.171 25645 1893 1 6 . 1 1 131 131 HIS N N 131 115.145 115.145 117.507 -2.362 25645 1894 1 6 . 1 1 131 131 HIS HA H 131 4.980 4.980 4.689 0.291 25645 1895 1 6 . 1 1 131 131 HIS CA C 131 55.377 55.377 55.436 -0.059 25645 1896 1 6 . 1 1 131 131 HIS CB C 131 32.300 32.300 29.781 2.519 25645 1897 1 6 . 1 1 131 131 HIS H H 131 7.794 7.794 7.937 -0.143 25645 1898 1 6 . 1 1 132 132 GLY N N 132 108.839 108.839 108.858 -0.019 25645 1899 1 6 . 1 1 132 132 GLY CA C 132 45.750 45.750 44.456 1.294 25645 1900 1 6 . 1 1 132 132 GLY H H 132 7.516 7.516 7.621 -0.105 25645 1901 1 6 . 1 1 133 133 TYR N N 133 122.032 122.032 120.626 1.406 25645 1902 1 6 . 1 1 133 133 TYR CA C 133 56.072 56.072 56.147 -0.075 25645 1903 1 6 . 1 1 133 133 TYR CB C 133 41.340 41.340 39.325 2.015 25645 1904 1 6 . 1 1 133 133 TYR H H 133 8.355 8.355 7.989 0.366 25645 1905 1 6 . 1 1 134 134 ILE N N 134 118.356 118.356 122.994 -4.638 25645 1906 1 6 . 1 1 134 134 ILE CA C 134 57.630 57.630 60.335 -2.705 25645 1907 1 6 . 1 1 134 134 ILE CB C 134 41.527 41.527 40.810 0.717 25645 1908 1 6 . 1 1 134 134 ILE H H 134 8.949 8.949 9.015 -0.066 25645 1909 1 6 . 1 1 135 135 SER N N 135 123.022 123.022 124.016 -0.994 25645 1910 1 6 . 1 1 135 135 SER CA C 135 56.890 56.890 56.923 -0.034 25645 1911 1 6 . 1 1 135 135 SER CB C 135 65.803 65.803 64.317 1.486 25645 1912 1 6 . 1 1 136 136 ARG N N 136 114.983 114.983 120.810 -5.827 25645 1913 1 6 . 1 1 136 136 ARG CA C 136 55.300 55.300 55.334 -0.034 25645 1914 1 6 . 1 1 136 136 ARG CB C 136 36.804 36.804 33.666 3.138 25645 1915 1 6 . 1 1 136 136 ARG H H 136 5.916 5.916 8.078 -2.162 25645 1916 1 6 . 1 1 137 137 CYS N N 137 117.966 117.966 118.774 -0.808 25645 1917 1 6 . 1 1 137 137 CYS CA C 137 55.918 55.918 56.219 -0.301 25645 1918 1 6 . 1 1 137 137 CYS CB C 137 41.577 41.577 28.558 13.019 25645 1919 1 6 . 1 1 137 137 CYS H H 137 9.616 9.616 8.460 1.156 25645 1920 1 6 . 1 1 138 138 PHE N N 138 120.959 120.959 125.901 -4.942 25645 1921 1 6 . 1 1 138 138 PHE CA C 138 57.921 57.921 57.198 0.723 25645 1922 1 6 . 1 1 138 138 PHE CB C 138 40.796 40.796 39.972 0.824 25645 1923 1 6 . 1 1 138 138 PHE H H 138 9.306 9.306 9.661 -0.355 25645 1924 1 6 . 1 1 139 139 THR N N 139 115.870 115.870 120.186 -4.316 25645 1925 1 6 . 1 1 139 139 THR CA C 139 62.202 62.202 61.410 0.792 25645 1926 1 6 . 1 1 139 139 THR CB C 139 71.765 71.765 70.035 1.730 25645 1927 1 6 . 1 1 139 139 THR H H 139 8.336 8.336 8.278 0.058 25645 1928 1 6 . 1 1 140 140 ARG N N 140 129.223 129.223 125.508 3.715 25645 1929 1 6 . 1 1 140 140 ARG CA C 140 53.286 53.286 55.692 -2.406 25645 1930 1 6 . 1 1 140 140 ARG CB C 140 32.505 32.505 34.044 -1.539 25645 1931 1 6 . 1 1 140 140 ARG H H 140 9.858 9.858 8.353 1.505 25645 1932 1 6 . 1 1 141 141 LYS N N 141 123.968 123.968 124.900 -0.932 25645 1933 1 6 . 1 1 141 141 LYS HA H 141 5.677 5.677 5.010 0.667 25645 1934 1 6 . 1 1 141 141 LYS CA C 141 53.931 53.931 56.048 -2.117 25645 1935 1 6 . 1 1 141 141 LYS CB C 141 35.675 35.675 35.129 0.546 25645 1936 1 6 . 1 1 141 141 LYS H H 141 8.788 8.788 8.729 0.059 25645 1937 1 6 . 1 1 142 142 TYR N N 142 121.120 121.120 127.488 -6.368 25645 1938 1 6 . 1 1 142 142 TYR CA C 142 55.983 55.983 55.496 0.487 25645 1939 1 6 . 1 1 142 142 TYR CB C 142 41.189 41.189 39.590 1.599 25645 1940 1 6 . 1 1 142 142 TYR H H 142 9.335 9.335 9.701 -0.366 25645 1941 1 6 . 1 1 143 143 THR N N 143 119.260 119.260 121.374 -2.114 25645 1942 1 6 . 1 1 143 143 THR CA C 143 62.091 62.091 62.010 0.081 25645 1943 1 6 . 1 1 143 143 THR CB C 143 68.728 68.728 68.073 0.655 25645 1944 1 6 . 1 1 143 143 THR H H 143 8.907 8.907 8.586 0.321 25645 1945 1 6 . 1 1 144 144 LEU N N 144 128.655 128.655 127.951 0.704 25645 1946 1 6 . 1 1 144 144 LEU CA C 144 52.057 52.057 51.627 0.430 25645 1947 1 6 . 1 1 144 144 LEU CB C 144 40.611 40.611 42.929 -2.318 25645 1948 1 6 . 1 1 144 144 LEU H H 144 8.190 8.190 8.098 0.092 25645 1949 1 6 . 1 1 146 146 PRO CA C 146 62.697 62.697 64.187 -1.490 25645 1950 1 6 . 1 1 146 146 PRO CB C 146 30.337 30.337 30.136 0.202 25645 1951 1 6 . 1 1 147 147 GLY N N 147 109.243 109.243 106.843 2.400 25645 1952 1 6 . 1 1 147 147 GLY CA C 147 44.659 44.659 45.624 -0.965 25645 1953 1 6 . 1 1 147 147 GLY H H 147 8.473 8.473 7.859 0.614 25645 1954 1 6 . 1 1 148 148 VAL N N 148 120.323 120.323 122.902 -2.579 25645 1955 1 6 . 1 1 148 148 VAL HA H 148 3.867 3.867 3.449 0.418 25645 1956 1 6 . 1 1 148 148 VAL CA C 148 62.132 62.132 63.238 -1.106 25645 1957 1 6 . 1 1 148 148 VAL CB C 148 30.798 30.798 31.578 -0.780 25645 1958 1 6 . 1 1 148 148 VAL H H 148 7.020 7.020 7.504 -0.484 25645 1959 1 6 . 1 1 149 149 ASP N N 149 130.411 130.411 128.683 1.728 25645 1960 1 6 . 1 1 149 149 ASP CA C 149 49.931 49.931 54.438 -4.507 25645 1961 1 6 . 1 1 149 149 ASP CB C 149 40.925 40.925 41.369 -0.444 25645 1962 1 6 . 1 1 149 149 ASP H H 149 8.798 8.798 8.360 0.438 25645 1963 1 6 . 1 1 150 150 PRO HA H 150 4.039 4.039 4.303 -0.264 25645 1964 1 6 . 1 1 150 150 PRO CA C 150 64.379 64.379 64.488 -0.109 25645 1965 1 6 . 1 1 150 150 PRO CB C 150 31.158 31.158 32.594 -1.436 25645 1966 1 6 . 1 1 151 151 THR N N 151 108.501 108.501 110.750 -2.249 25645 1967 1 6 . 1 1 151 151 THR CA C 151 63.540 63.540 63.821 -0.281 25645 1968 1 6 . 1 1 151 151 THR CB C 151 68.784 68.784 68.721 0.063 25645 1969 1 6 . 1 1 151 151 THR H H 151 8.295 8.295 8.213 0.082 25645 1970 1 6 . 1 1 152 152 GLN N N 152 119.655 119.655 119.751 -0.096 25645 1971 1 6 . 1 1 152 152 GLN HA H 152 4.433 4.433 4.486 -0.053 25645 1972 1 6 . 1 1 152 152 GLN CA C 152 54.247 54.247 55.500 -1.253 25645 1973 1 6 . 1 1 152 152 GLN CB C 152 28.118 28.118 29.898 -1.780 25645 1974 1 6 . 1 1 153 153 VAL N N 153 120.424 120.424 122.216 -1.792 25645 1975 1 6 . 1 1 153 153 VAL HA H 153 4.584 4.584 4.312 0.272 25645 1976 1 6 . 1 1 153 153 VAL CA C 153 62.129 62.129 61.823 0.306 25645 1977 1 6 . 1 1 153 153 VAL CB C 153 30.632 30.632 31.000 -0.368 25645 1978 1 6 . 1 1 153 153 VAL H H 153 6.881 6.881 7.506 -0.625 25645 1979 1 6 . 1 1 154 154 SER N N 154 124.948 124.948 124.203 0.745 25645 1980 1 6 . 1 1 154 154 SER CA C 154 56.292 56.292 57.596 -1.304 25645 1981 1 6 . 1 1 154 154 SER CB C 154 66.028 66.028 64.153 1.875 25645 1982 1 6 . 1 1 154 154 SER H H 154 9.507 9.507 8.221 1.286 25645 1983 1 6 . 1 1 155 155 SER N N 155 114.211 114.211 115.027 -0.816 25645 1984 1 6 . 1 1 155 155 SER CA C 155 56.407 56.407 57.490 -1.083 25645 1985 1 6 . 1 1 155 155 SER CB C 155 66.880 66.880 66.693 0.187 25645 1986 1 6 . 1 1 155 155 SER H H 155 8.390 8.390 8.218 0.172 25645 1987 1 6 . 1 1 156 156 SER N N 156 114.400 114.400 119.377 -4.977 25645 1988 1 6 . 1 1 156 156 SER CA C 156 57.035 57.035 57.087 -0.052 25645 1989 1 6 . 1 1 156 156 SER CB C 156 65.136 65.136 65.217 -0.081 25645 1990 1 6 . 1 1 156 156 SER H H 156 8.679 8.679 9.035 -0.356 25645 1991 1 6 . 1 1 157 157 LEU N N 157 127.132 127.132 123.998 3.134 25645 1992 1 6 . 1 1 157 157 LEU CA C 157 52.943 52.943 53.757 -0.814 25645 1993 1 6 . 1 1 157 157 LEU CB C 157 43.606 43.606 46.002 -2.396 25645 1994 1 6 . 1 1 157 157 LEU H H 157 8.623 8.623 8.421 0.202 25645 1995 1 6 . 1 1 158 158 SER N N 158 124.449 124.449 118.761 5.688 25645 1996 1 6 . 1 1 158 158 SER CA C 158 55.551 55.551 54.570 0.981 25645 1997 1 6 . 1 1 158 158 SER CB C 158 63.266 63.266 64.854 -1.588 25645 1998 1 6 . 1 1 158 158 SER H H 158 8.926 8.926 8.240 0.686 25645 1999 1 6 . 1 1 159 159 PRO CA C 159 64.391 64.391 64.720 -0.329 25645 2000 1 6 . 1 1 159 159 PRO CB C 159 30.274 30.274 31.847 -1.573 25645 2001 1 6 . 1 1 160 160 GLU N N 160 113.862 113.862 116.646 -2.784 25645 2002 1 6 . 1 1 160 160 GLU HA H 160 4.315 4.315 4.314 0.001 25645 2003 1 6 . 1 1 160 160 GLU CA C 160 56.071 56.071 55.966 0.105 25645 2004 1 6 . 1 1 160 160 GLU CB C 160 28.031 28.031 28.679 -0.648 25645 2005 1 6 . 1 1 160 160 GLU H H 160 7.884 7.884 8.272 -0.388 25645 2006 1 6 . 1 1 161 161 GLY N N 161 108.198 108.198 109.620 -1.422 25645 2007 1 6 . 1 1 161 161 GLY CA C 161 45.836 45.836 45.906 -0.070 25645 2008 1 6 . 1 1 161 161 GLY H H 161 8.093 8.093 8.328 -0.235 25645 2009 1 6 . 1 1 162 162 THR N N 162 113.714 113.714 116.165 -2.451 25645 2010 1 6 . 1 1 162 162 THR CA C 162 61.051 61.051 61.692 -0.641 25645 2011 1 6 . 1 1 162 162 THR CB C 162 68.924 68.924 69.137 -0.213 25645 2012 1 6 . 1 1 162 162 THR H H 162 7.436 7.436 7.381 0.055 25645 2013 1 6 . 1 1 163 163 LEU N N 163 106.660 106.660 131.803 -25.143 25645 2014 1 6 . 1 1 163 163 LEU CA C 163 53.400 53.400 52.467 0.933 25645 2015 1 6 . 1 1 163 163 LEU CB C 163 43.882 43.882 43.720 0.162 25645 2016 1 6 . 1 1 163 163 LEU H H 163 9.571 9.571 8.411 1.160 25645 2017 1 6 . 1 1 164 164 THR N N 164 123.931 123.931 121.889 2.042 25645 2018 1 6 . 1 1 164 164 THR CA C 164 61.246 61.246 60.920 0.326 25645 2019 1 6 . 1 1 164 164 THR CB C 164 70.034 70.034 68.899 1.135 25645 2020 1 6 . 1 1 164 164 THR H H 164 9.165 9.165 9.114 0.051 25645 2021 1 6 . 1 1 165 165 VAL N N 165 128.872 128.872 121.128 7.744 25645 2022 1 6 . 1 1 165 165 VAL HA H 165 4.887 4.887 4.934 -0.047 25645 2023 1 6 . 1 1 165 165 VAL CA C 165 60.037 60.037 59.616 0.421 25645 2024 1 6 . 1 1 165 165 VAL CB C 165 32.397 32.397 32.866 -0.469 25645 2025 1 6 . 1 1 165 165 VAL H H 165 8.892 8.892 9.085 -0.193 25645 2026 1 6 . 1 1 166 166 GLU N N 166 122.017 122.017 126.065 -4.048 25645 2027 1 6 . 1 1 166 166 GLU HA H 166 5.976 5.976 5.491 0.485 25645 2028 1 6 . 1 1 166 166 GLU CA C 166 53.604 53.604 54.038 -0.434 25645 2029 1 6 . 1 1 166 166 GLU CB C 166 34.427 34.427 32.153 2.274 25645 2030 1 6 . 1 1 166 166 GLU H H 166 8.973 8.973 8.449 0.524 25645 2031 1 6 . 1 1 167 167 ALA N N 167 121.099 121.099 124.796 -3.697 25645 2032 1 6 . 1 1 167 167 ALA CA C 167 49.696 49.696 50.463 -0.767 25645 2033 1 6 . 1 1 167 167 ALA CB C 167 21.689 21.689 22.099 -0.410 25645 2034 1 6 . 1 1 167 167 ALA H H 167 9.464 9.464 9.366 0.098 25645 2035 1 6 . 1 1 168 168 PRO HA H 168 4.644 4.644 5.508 -0.864 25645 2036 1 6 . 1 1 168 168 PRO CA C 168 62.139 62.139 62.299 -0.160 25645 2037 1 6 . 1 1 168 168 PRO CB C 168 30.564 30.564 31.891 -1.327 25645 2038 1 6 . 1 1 169 169 MET N N 169 120.747 120.747 122.604 -1.857 25645 2039 1 6 . 1 1 169 169 MET CA C 169 51.702 51.702 52.462 -0.760 25645 2040 1 6 . 1 1 169 169 MET CB C 169 31.123 31.123 32.417 -1.294 25645 2041 1 6 . 1 1 169 169 MET H H 169 7.726 7.726 7.810 -0.084 25645 2042 1 6 . 1 1 170 170 PRO HA H 170 4.401 4.401 4.513 -0.112 25645 2043 1 6 . 1 1 170 170 PRO CA C 170 62.148 62.148 62.695 -0.547 25645 2044 1 6 . 1 1 170 170 PRO CB C 170 30.765 30.765 31.701 -0.936 25645 2045 1 6 . 1 1 171 171 LYS N N 171 123.033 123.033 126.285 -3.252 25645 2046 1 6 . 1 1 171 171 LYS HA H 171 4.300 4.300 4.127 0.173 25645 2047 1 6 . 1 1 171 171 LYS CA C 171 55.621 55.621 56.105 -0.484 25645 2048 1 6 . 1 1 171 171 LYS CB C 171 31.856 31.856 31.217 0.639 25645 2049 1 6 . 1 1 171 171 LYS H H 171 8.296 8.296 8.487 -0.191 25645 2050 1 6 . 1 1 172 172 LEU N N 172 124.281 124.281 121.876 2.405 25645 2051 1 6 . 1 1 172 172 LEU CA C 172 54.400 54.400 55.044 -0.644 25645 2052 1 6 . 1 1 172 172 LEU CB C 172 41.389 41.389 42.766 -1.377 25645 2053 1 6 . 1 1 172 172 LEU H H 172 8.262 8.262 8.271 -0.009 25645 2054 1 6 . 1 1 173 173 ALA N N 173 125.260 125.260 123.399 1.861 25645 2055 1 6 . 1 1 173 173 ALA CA C 173 51.903 51.903 52.433 -0.530 25645 2056 1 6 . 1 1 173 173 ALA CB C 173 17.894 17.894 16.984 0.910 25645 2057 1 6 . 1 1 173 173 ALA H H 173 8.343 8.343 8.411 -0.068 25645 2058 1 6 . 1 1 174 174 THR N N 174 112.925 112.925 115.030 -2.105 25645 2059 1 6 . 1 1 174 174 THR CA C 174 61.562 61.562 61.567 -0.005 25645 2060 1 6 . 1 1 174 174 THR CB C 174 69.156 69.156 69.680 -0.524 25645 2061 1 6 . 1 1 174 174 THR H H 174 7.990 7.990 8.359 -0.369 25645 2062 1 6 . 1 1 175 175 GLN HA H 175 4.425 4.425 4.475 -0.050 25645 2063 1 6 . 1 1 175 175 GLN CA C 175 55.430 55.430 55.791 -0.361 25645 2064 1 6 . 1 1 175 175 GLN CB C 175 28.460 28.460 29.268 -0.808 25645 2065 1 7 . 1 1 80 80 GLN CA C 80 55.036 55.036 56.324 -1.288 25645 2066 1 7 . 1 1 80 80 GLN CB C 80 28.313 28.313 29.885 -1.572 25645 2067 1 7 . 1 1 81 81 LEU N N 81 125.126 125.126 117.950 7.176 25645 2068 1 7 . 1 1 81 81 LEU CB C 81 41.212 41.212 40.858 0.354 25645 2069 1 7 . 1 1 81 81 LEU H H 81 8.563 8.563 8.029 0.534 25645 2070 1 7 . 1 1 84 84 GLY CA C 84 44.806 44.806 46.345 -1.539 25645 2071 1 7 . 1 1 85 85 VAL N N 85 120.010 120.010 122.429 -2.419 25645 2072 1 7 . 1 1 85 85 VAL CA C 85 62.182 62.182 61.487 0.695 25645 2073 1 7 . 1 1 85 85 VAL CB C 85 31.766 31.766 31.808 -0.042 25645 2074 1 7 . 1 1 85 85 VAL H H 85 7.975 7.975 8.267 -0.292 25645 2075 1 7 . 1 1 86 86 SER CA C 86 57.128 57.128 58.718 -1.590 25645 2076 1 7 . 1 1 86 86 SER CB C 86 63.886 63.886 63.660 0.226 25645 2077 1 7 . 1 1 87 87 GLU N N 87 124.764 124.764 121.579 3.185 25645 2078 1 7 . 1 1 87 87 GLU CA C 87 55.702 55.702 56.504 -0.802 25645 2079 1 7 . 1 1 88 88 ILE CA C 88 59.909 59.909 60.989 -1.080 25645 2080 1 7 . 1 1 88 88 ILE CB C 88 35.909 35.909 36.397 -0.488 25645 2081 1 7 . 1 1 89 89 ARG N N 89 126.800 126.800 124.151 2.649 25645 2082 1 7 . 1 1 89 89 ARG CA C 89 54.024 54.024 55.268 -1.244 25645 2083 1 7 . 1 1 89 89 ARG CB C 89 30.285 30.285 30.991 -0.707 25645 2084 1 7 . 1 1 89 89 ARG H H 89 8.231 8.231 7.777 0.454 25645 2085 1 7 . 1 1 93 93 ASP HA H 93 4.745 4.745 4.752 -0.007 25645 2086 1 7 . 1 1 93 93 ASP CA C 93 53.541 53.541 53.529 0.012 25645 2087 1 7 . 1 1 93 93 ASP CB C 93 41.335 41.335 41.695 -0.360 25645 2088 1 7 . 1 1 94 94 ARG N N 94 121.910 121.910 119.414 2.496 25645 2089 1 7 . 1 1 94 94 ARG HA H 94 4.823 4.823 4.645 0.178 25645 2090 1 7 . 1 1 94 94 ARG CA C 94 54.982 54.982 55.313 -0.331 25645 2091 1 7 . 1 1 94 94 ARG CB C 94 32.387 32.387 31.662 0.725 25645 2092 1 7 . 1 1 94 94 ARG H H 94 7.811 7.811 8.586 -0.775 25645 2093 1 7 . 1 1 95 95 TRP N N 95 129.134 129.134 125.230 3.904 25645 2094 1 7 . 1 1 95 95 TRP CA C 95 55.731 55.731 54.982 0.749 25645 2095 1 7 . 1 1 95 95 TRP CB C 95 29.371 29.371 30.937 -1.566 25645 2096 1 7 . 1 1 95 95 TRP H H 95 9.067 9.067 9.255 -0.188 25645 2097 1 7 . 1 1 96 96 ARG HA H 96 5.022 5.022 4.716 0.306 25645 2098 1 7 . 1 1 96 96 ARG CA C 96 55.252 55.252 55.214 0.038 25645 2099 1 7 . 1 1 96 96 ARG CB C 96 32.455 32.455 31.762 0.693 25645 2100 1 7 . 1 1 97 97 VAL N N 97 119.924 119.924 126.855 -6.931 25645 2101 1 7 . 1 1 97 97 VAL HA H 97 4.474 4.474 4.389 0.085 25645 2102 1 7 . 1 1 97 97 VAL CA C 97 58.208 58.208 60.056 -1.848 25645 2103 1 7 . 1 1 97 97 VAL CB C 97 34.114 34.114 35.825 -1.711 25645 2104 1 7 . 1 1 97 97 VAL H H 97 8.316 8.316 8.421 -0.105 25645 2105 1 7 . 1 1 98 98 SER N N 98 116.475 116.475 118.252 -1.777 25645 2106 1 7 . 1 1 98 98 SER CA C 98 56.851 56.851 56.501 0.350 25645 2107 1 7 . 1 1 98 98 SER CB C 98 66.291 66.291 65.550 0.741 25645 2108 1 7 . 1 1 99 99 LEU N N 99 122.870 122.870 125.291 -2.421 25645 2109 1 7 . 1 1 99 99 LEU CA C 99 53.560 53.560 54.134 -0.574 25645 2110 1 7 . 1 1 99 99 LEU CB C 99 44.394 44.394 42.503 1.891 25645 2111 1 7 . 1 1 99 99 LEU H H 99 9.161 9.161 9.098 0.063 25645 2112 1 7 . 1 1 100 100 ASP CA C 100 53.766 53.766 55.746 -1.980 25645 2113 1 7 . 1 1 100 100 ASP CB C 100 39.856 39.856 39.986 -0.130 25645 2114 1 7 . 1 1 101 101 VAL N N 101 121.612 121.612 116.750 4.862 25645 2115 1 7 . 1 1 101 101 VAL CA C 101 58.728 58.728 63.289 -4.561 25645 2116 1 7 . 1 1 101 101 VAL CB C 101 30.010 30.010 32.534 -2.524 25645 2117 1 7 . 1 1 101 101 VAL H H 101 8.484 8.484 7.661 0.823 25645 2118 1 7 . 1 1 102 102 ASN N N 102 118.997 118.997 119.729 -0.732 25645 2119 1 7 . 1 1 102 102 ASN CA C 102 56.518 56.518 54.666 1.852 25645 2120 1 7 . 1 1 102 102 ASN CB C 102 38.488 38.488 37.618 0.870 25645 2121 1 7 . 1 1 102 102 ASN H H 102 8.010 8.010 8.154 -0.144 25645 2122 1 7 . 1 1 103 103 HIS N N 103 114.123 114.123 117.016 -2.893 25645 2123 1 7 . 1 1 103 103 HIS HA H 103 4.290 4.290 4.389 -0.099 25645 2124 1 7 . 1 1 103 103 HIS CA C 103 57.386 57.386 57.903 -0.517 25645 2125 1 7 . 1 1 103 103 HIS CB C 103 29.639 29.639 28.024 1.615 25645 2126 1 7 . 1 1 103 103 HIS H H 103 7.817 7.817 8.515 -0.698 25645 2127 1 7 . 1 1 104 104 PHE N N 104 117.452 117.452 114.788 2.664 25645 2128 1 7 . 1 1 104 104 PHE CA C 104 57.411 57.411 56.724 0.687 25645 2129 1 7 . 1 1 104 104 PHE CB C 104 40.120 40.120 39.563 0.556 25645 2130 1 7 . 1 1 104 104 PHE H H 104 8.315 8.315 6.529 1.786 25645 2131 1 7 . 1 1 105 105 ALA N N 105 126.820 126.820 123.268 3.552 25645 2132 1 7 . 1 1 105 105 ALA CA C 105 49.383 49.383 49.283 0.100 25645 2133 1 7 . 1 1 105 105 ALA CB C 105 17.252 17.252 19.837 -2.585 25645 2134 1 7 . 1 1 105 105 ALA H H 105 9.290 9.290 7.521 1.769 25645 2135 1 7 . 1 1 106 106 PRO CA C 106 65.904 65.904 64.268 1.636 25645 2136 1 7 . 1 1 106 106 PRO CB C 106 30.445 30.445 32.373 -1.928 25645 2137 1 7 . 1 1 107 107 ASP N N 107 110.250 110.250 117.148 -6.898 25645 2138 1 7 . 1 1 107 107 ASP CA C 107 53.849 53.849 55.720 -1.871 25645 2139 1 7 . 1 1 107 107 ASP CB C 107 38.993 38.993 40.849 -1.857 25645 2140 1 7 . 1 1 107 107 ASP H H 107 8.122 8.122 8.228 -0.106 25645 2141 1 7 . 1 1 108 108 GLU N N 108 120.254 120.254 117.613 2.641 25645 2142 1 7 . 1 1 108 108 GLU CA C 108 55.584 55.584 55.875 -0.291 25645 2143 1 7 . 1 1 108 108 GLU CB C 108 28.838 28.838 27.982 0.856 25645 2144 1 7 . 1 1 108 108 GLU H H 108 8.164 8.164 8.535 -0.371 25645 2145 1 7 . 1 1 109 109 LEU N N 109 120.135 120.135 121.099 -0.964 25645 2146 1 7 . 1 1 109 109 LEU CA C 109 52.717 52.717 53.472 -0.755 25645 2147 1 7 . 1 1 109 109 LEU CB C 109 45.419 45.419 45.597 -0.178 25645 2148 1 7 . 1 1 109 109 LEU H H 109 7.113 7.113 7.126 -0.013 25645 2149 1 7 . 1 1 110 110 THR N N 110 115.508 115.508 121.912 -6.404 25645 2150 1 7 . 1 1 110 110 THR CA C 110 60.148 60.148 60.974 -0.826 25645 2151 1 7 . 1 1 110 110 THR CB C 110 71.203 71.203 70.053 1.150 25645 2152 1 7 . 1 1 111 111 VAL N N 111 124.271 124.271 127.957 -3.686 25645 2153 1 7 . 1 1 111 111 VAL HA H 111 4.824 4.824 4.466 0.358 25645 2154 1 7 . 1 1 111 111 VAL CA C 111 61.069 61.069 62.334 -1.265 25645 2155 1 7 . 1 1 111 111 VAL CB C 111 32.613 32.613 32.271 0.342 25645 2156 1 7 . 1 1 111 111 VAL H H 111 8.448 8.448 8.817 -0.369 25645 2157 1 7 . 1 1 112 112 LYS N N 112 127.684 127.684 129.865 -2.181 25645 2158 1 7 . 1 1 112 112 LYS CA C 112 54.406 54.406 54.732 -0.326 25645 2159 1 7 . 1 1 112 112 LYS CB C 112 35.342 35.342 33.957 1.385 25645 2160 1 7 . 1 1 112 112 LYS H H 112 9.060 9.060 8.412 0.648 25645 2161 1 7 . 1 1 113 113 THR N N 113 118.383 118.383 120.751 -2.368 25645 2162 1 7 . 1 1 113 113 THR CA C 113 60.487 60.487 61.596 -1.109 25645 2163 1 7 . 1 1 113 113 THR CB C 113 68.992 68.992 68.701 0.290 25645 2164 1 7 . 1 1 113 113 THR H H 113 8.536 8.536 8.799 -0.263 25645 2165 1 7 . 1 1 114 114 LYS N N 114 125.354 125.354 127.893 -2.539 25645 2166 1 7 . 1 1 114 114 LYS CA C 114 55.481 55.481 53.689 1.792 25645 2167 1 7 . 1 1 114 114 LYS CB C 114 33.686 33.686 32.346 1.340 25645 2168 1 7 . 1 1 114 114 LYS H H 114 8.650 8.650 9.045 -0.395 25645 2169 1 7 . 1 1 115 115 ASP N N 115 124.373 124.373 127.883 -3.510 25645 2170 1 7 . 1 1 115 115 ASP HA H 115 4.373 4.373 4.286 0.087 25645 2171 1 7 . 1 1 115 115 ASP CA C 115 55.485 55.485 55.460 0.025 25645 2172 1 7 . 1 1 115 115 ASP CB C 115 39.176 39.176 40.082 -0.906 25645 2173 1 7 . 1 1 115 115 ASP H H 115 9.018 9.018 8.474 0.544 25645 2174 1 7 . 1 1 116 116 GLY N N 116 105.265 105.265 106.718 -1.453 25645 2175 1 7 . 1 1 116 116 GLY CA C 116 45.343 45.343 44.977 0.366 25645 2176 1 7 . 1 1 116 116 GLY H H 116 8.677 8.677 8.074 0.603 25645 2177 1 7 . 1 1 117 117 VAL N N 117 120.174 120.174 121.972 -1.798 25645 2178 1 7 . 1 1 117 117 VAL HA H 117 5.008 5.008 4.528 0.480 25645 2179 1 7 . 1 1 117 117 VAL CA C 117 59.834 59.834 61.758 -1.924 25645 2180 1 7 . 1 1 117 117 VAL CB C 117 34.800 34.800 32.582 2.218 25645 2181 1 7 . 1 1 117 117 VAL H H 117 7.790 7.790 8.216 -0.426 25645 2182 1 7 . 1 1 118 118 VAL N N 118 125.349 125.349 129.011 -3.662 25645 2183 1 7 . 1 1 118 118 VAL HA H 118 4.676 4.676 4.391 0.285 25645 2184 1 7 . 1 1 118 118 VAL CA C 118 60.349 60.349 62.316 -1.967 25645 2185 1 7 . 1 1 118 118 VAL CB C 118 32.602 32.602 32.946 -0.344 25645 2186 1 7 . 1 1 119 119 GLU N N 119 128.922 128.922 128.318 0.604 25645 2187 1 7 . 1 1 119 119 GLU CA C 119 53.883 53.883 54.511 -0.629 25645 2188 1 7 . 1 1 119 119 GLU CB C 119 32.066 32.066 34.408 -2.342 25645 2189 1 7 . 1 1 119 119 GLU H H 119 9.417 9.417 8.196 1.221 25645 2190 1 7 . 1 1 120 120 ILE N N 120 129.583 129.583 125.524 4.059 25645 2191 1 7 . 1 1 120 120 ILE CA C 120 59.681 59.681 59.588 0.093 25645 2192 1 7 . 1 1 120 120 ILE CB C 120 40.042 40.042 40.109 -0.067 25645 2193 1 7 . 1 1 120 120 ILE H H 120 9.616 9.616 8.752 0.864 25645 2194 1 7 . 1 1 121 121 THR N N 121 121.955 121.955 125.080 -3.125 25645 2195 1 7 . 1 1 121 121 THR CA C 121 59.950 59.950 61.907 -1.957 25645 2196 1 7 . 1 1 121 121 THR CB C 121 70.943 70.943 69.089 1.854 25645 2197 1 7 . 1 1 121 121 THR H H 121 8.686 8.686 9.061 -0.375 25645 2198 1 7 . 1 1 122 122 GLY N N 122 111.809 111.809 112.989 -1.180 25645 2199 1 7 . 1 1 122 122 GLY CA C 122 43.346 43.346 45.187 -1.841 25645 2200 1 7 . 1 1 122 122 GLY H H 122 6.961 6.961 8.230 -1.269 25645 2201 1 7 . 1 1 123 123 LYS N N 123 122.817 122.817 125.108 -2.291 25645 2202 1 7 . 1 1 123 123 LYS CA C 123 56.015 56.015 54.612 1.403 25645 2203 1 7 . 1 1 123 123 LYS CB C 123 33.748 33.748 35.723 -1.975 25645 2204 1 7 . 1 1 123 123 LYS H H 123 8.041 8.041 7.771 0.270 25645 2205 1 7 . 1 1 124 124 HIS N N 124 122.330 122.330 121.829 0.501 25645 2206 1 7 . 1 1 124 124 HIS CA C 124 53.525 53.525 54.575 -1.050 25645 2207 1 7 . 1 1 124 124 HIS CB C 124 32.205 32.205 31.014 1.191 25645 2208 1 7 . 1 1 124 124 HIS H H 124 9.090 9.090 7.068 2.022 25645 2209 1 7 . 1 1 125 125 GLU N N 125 122.817 122.817 119.670 3.147 25645 2210 1 7 . 1 1 125 125 GLU HA H 125 4.418 4.418 4.319 0.099 25645 2211 1 7 . 1 1 125 125 GLU CA C 125 54.377 54.377 55.495 -1.118 25645 2212 1 7 . 1 1 125 125 GLU CB C 125 29.304 29.304 30.865 -1.561 25645 2213 1 7 . 1 1 126 126 GLU N N 126 118.410 118.410 119.809 -1.399 25645 2214 1 7 . 1 1 126 126 GLU HA H 126 4.155 4.155 3.973 0.182 25645 2215 1 7 . 1 1 126 126 GLU CA C 126 57.815 57.815 57.944 -0.129 25645 2216 1 7 . 1 1 126 126 GLU CB C 126 29.373 29.373 29.425 -0.052 25645 2217 1 7 . 1 1 126 126 GLU H H 126 8.800 8.800 8.465 0.335 25645 2218 1 7 . 1 1 127 127 ARG N N 127 124.867 124.867 125.366 -0.499 25645 2219 1 7 . 1 1 127 127 ARG HA H 127 4.880 4.880 4.539 0.341 25645 2220 1 7 . 1 1 127 127 ARG CA C 127 53.544 53.544 54.220 -0.676 25645 2221 1 7 . 1 1 127 127 ARG CB C 127 32.379 32.379 32.328 0.051 25645 2222 1 7 . 1 1 127 127 ARG H H 127 8.921 8.921 7.975 0.946 25645 2223 1 7 . 1 1 128 128 GLN N N 128 122.883 122.883 124.251 -1.368 25645 2224 1 7 . 1 1 128 128 GLN HA H 128 4.503 4.503 4.592 -0.089 25645 2225 1 7 . 1 1 128 128 GLN CA C 128 55.175 55.175 55.381 -0.206 25645 2226 1 7 . 1 1 128 128 GLN CB C 128 28.933 28.933 30.109 -1.176 25645 2227 1 7 . 1 1 128 128 GLN H H 128 8.758 8.758 8.552 0.206 25645 2228 1 7 . 1 1 129 129 ASP N N 129 128.171 128.171 126.973 1.198 25645 2229 1 7 . 1 1 129 129 ASP CA C 129 51.655 51.655 52.944 -1.289 25645 2230 1 7 . 1 1 129 129 ASP CB C 129 41.155 41.155 43.693 -2.538 25645 2231 1 7 . 1 1 129 129 ASP H H 129 8.892 8.892 8.920 -0.028 25645 2232 1 7 . 1 1 130 130 GLU N N 130 114.822 114.822 120.191 -5.369 25645 2233 1 7 . 1 1 130 130 GLU HA H 130 3.947 3.947 3.956 -0.009 25645 2234 1 7 . 1 1 130 130 GLU CA C 130 58.201 58.201 58.357 -0.156 25645 2235 1 7 . 1 1 130 130 GLU CB C 130 28.013 28.013 29.448 -1.435 25645 2236 1 7 . 1 1 130 130 GLU H H 130 8.799 8.799 8.725 0.074 25645 2237 1 7 . 1 1 131 131 HIS N N 131 115.145 115.145 116.237 -1.092 25645 2238 1 7 . 1 1 131 131 HIS HA H 131 4.980 4.980 4.778 0.202 25645 2239 1 7 . 1 1 131 131 HIS CA C 131 55.377 55.377 55.501 -0.124 25645 2240 1 7 . 1 1 131 131 HIS CB C 131 32.300 32.300 29.524 2.776 25645 2241 1 7 . 1 1 131 131 HIS H H 131 7.794 7.794 8.713 -0.919 25645 2242 1 7 . 1 1 132 132 GLY N N 132 108.839 108.839 107.476 1.363 25645 2243 1 7 . 1 1 132 132 GLY CA C 132 45.750 45.750 44.844 0.906 25645 2244 1 7 . 1 1 132 132 GLY H H 132 7.516 7.516 7.918 -0.402 25645 2245 1 7 . 1 1 133 133 TYR N N 133 122.032 122.032 119.598 2.434 25645 2246 1 7 . 1 1 133 133 TYR CA C 133 56.072 56.072 55.714 0.358 25645 2247 1 7 . 1 1 133 133 TYR CB C 133 41.340 41.340 40.742 0.598 25645 2248 1 7 . 1 1 133 133 TYR H H 133 8.355 8.355 8.227 0.128 25645 2249 1 7 . 1 1 134 134 ILE N N 134 118.356 118.356 125.691 -7.335 25645 2250 1 7 . 1 1 134 134 ILE CA C 134 57.630 57.630 60.756 -3.126 25645 2251 1 7 . 1 1 134 134 ILE CB C 134 41.527 41.527 39.924 1.603 25645 2252 1 7 . 1 1 134 134 ILE H H 134 8.949 8.949 9.331 -0.382 25645 2253 1 7 . 1 1 135 135 SER N N 135 123.022 123.022 123.858 -0.836 25645 2254 1 7 . 1 1 135 135 SER CA C 135 56.890 56.890 56.800 0.090 25645 2255 1 7 . 1 1 135 135 SER CB C 135 65.803 65.803 66.053 -0.250 25645 2256 1 7 . 1 1 136 136 ARG N N 136 114.983 114.983 119.154 -4.171 25645 2257 1 7 . 1 1 136 136 ARG CA C 136 55.300 55.300 54.861 0.439 25645 2258 1 7 . 1 1 136 136 ARG CB C 136 36.804 36.804 33.103 3.701 25645 2259 1 7 . 1 1 136 136 ARG H H 136 5.916 5.916 9.081 -3.165 25645 2260 1 7 . 1 1 137 137 CYS N N 137 117.966 117.966 116.395 1.571 25645 2261 1 7 . 1 1 137 137 CYS CA C 137 55.918 55.918 56.562 -0.644 25645 2262 1 7 . 1 1 137 137 CYS CB C 137 41.577 41.577 28.119 13.458 25645 2263 1 7 . 1 1 137 137 CYS H H 137 9.616 9.616 8.096 1.520 25645 2264 1 7 . 1 1 138 138 PHE N N 138 120.959 120.959 125.344 -4.385 25645 2265 1 7 . 1 1 138 138 PHE CA C 138 57.921 57.921 56.690 1.231 25645 2266 1 7 . 1 1 138 138 PHE CB C 138 40.796 40.796 39.564 1.232 25645 2267 1 7 . 1 1 138 138 PHE H H 138 9.306 9.306 9.183 0.123 25645 2268 1 7 . 1 1 139 139 THR N N 139 115.870 115.870 121.397 -5.527 25645 2269 1 7 . 1 1 139 139 THR CA C 139 62.202 62.202 62.148 0.054 25645 2270 1 7 . 1 1 139 139 THR CB C 139 71.765 71.765 69.140 2.625 25645 2271 1 7 . 1 1 139 139 THR H H 139 8.336 8.336 8.511 -0.175 25645 2272 1 7 . 1 1 140 140 ARG N N 140 129.223 129.223 128.181 1.042 25645 2273 1 7 . 1 1 140 140 ARG CA C 140 53.286 53.286 55.026 -1.740 25645 2274 1 7 . 1 1 140 140 ARG CB C 140 32.505 32.505 32.207 0.298 25645 2275 1 7 . 1 1 140 140 ARG H H 140 9.858 9.858 8.325 1.533 25645 2276 1 7 . 1 1 141 141 LYS N N 141 123.968 123.968 124.181 -0.213 25645 2277 1 7 . 1 1 141 141 LYS HA H 141 5.677 5.677 5.242 0.435 25645 2278 1 7 . 1 1 141 141 LYS CA C 141 53.931 53.931 55.806 -1.875 25645 2279 1 7 . 1 1 141 141 LYS CB C 141 35.675 35.675 35.604 0.071 25645 2280 1 7 . 1 1 141 141 LYS H H 141 8.788 8.788 8.676 0.112 25645 2281 1 7 . 1 1 142 142 TYR N N 142 121.120 121.120 126.992 -5.872 25645 2282 1 7 . 1 1 142 142 TYR CA C 142 55.983 55.983 56.550 -0.567 25645 2283 1 7 . 1 1 142 142 TYR CB C 142 41.189 41.189 40.202 0.987 25645 2284 1 7 . 1 1 142 142 TYR H H 142 9.335 9.335 9.646 -0.311 25645 2285 1 7 . 1 1 143 143 THR N N 143 119.260 119.260 121.699 -2.439 25645 2286 1 7 . 1 1 143 143 THR CA C 143 62.091 62.091 62.959 -0.868 25645 2287 1 7 . 1 1 143 143 THR CB C 143 68.728 68.728 68.673 0.055 25645 2288 1 7 . 1 1 143 143 THR H H 143 8.907 8.907 8.893 0.014 25645 2289 1 7 . 1 1 144 144 LEU N N 144 128.655 128.655 128.938 -0.283 25645 2290 1 7 . 1 1 144 144 LEU CA C 144 52.057 52.057 51.445 0.612 25645 2291 1 7 . 1 1 144 144 LEU CB C 144 40.611 40.611 42.566 -1.955 25645 2292 1 7 . 1 1 144 144 LEU H H 144 8.190 8.190 8.144 0.046 25645 2293 1 7 . 1 1 146 146 PRO CA C 146 62.697 62.697 63.970 -1.273 25645 2294 1 7 . 1 1 146 146 PRO CB C 146 30.337 30.337 31.566 -1.229 25645 2295 1 7 . 1 1 147 147 GLY N N 147 109.243 109.243 103.965 5.278 25645 2296 1 7 . 1 1 147 147 GLY CA C 147 44.659 44.659 44.564 0.095 25645 2297 1 7 . 1 1 147 147 GLY H H 147 8.473 8.473 7.355 1.118 25645 2298 1 7 . 1 1 148 148 VAL N N 148 120.323 120.323 121.508 -1.185 25645 2299 1 7 . 1 1 148 148 VAL HA H 148 3.867 3.867 3.826 0.041 25645 2300 1 7 . 1 1 148 148 VAL CA C 148 62.132 62.132 60.961 1.171 25645 2301 1 7 . 1 1 148 148 VAL CB C 148 30.798 30.798 32.879 -2.081 25645 2302 1 7 . 1 1 148 148 VAL H H 148 7.020 7.020 7.290 -0.270 25645 2303 1 7 . 1 1 149 149 ASP N N 149 130.411 130.411 128.826 1.585 25645 2304 1 7 . 1 1 149 149 ASP CA C 149 49.931 49.931 52.460 -2.529 25645 2305 1 7 . 1 1 149 149 ASP CB C 149 40.925 40.925 42.366 -1.441 25645 2306 1 7 . 1 1 149 149 ASP H H 149 8.798 8.798 8.140 0.658 25645 2307 1 7 . 1 1 150 150 PRO HA H 150 4.039 4.039 4.570 -0.531 25645 2308 1 7 . 1 1 150 150 PRO CA C 150 64.379 64.379 63.994 0.385 25645 2309 1 7 . 1 1 150 150 PRO CB C 150 31.158 31.158 32.704 -1.546 25645 2310 1 7 . 1 1 151 151 THR N N 151 108.501 108.501 109.874 -1.373 25645 2311 1 7 . 1 1 151 151 THR CA C 151 63.540 63.540 63.301 0.239 25645 2312 1 7 . 1 1 151 151 THR CB C 151 68.784 68.784 69.470 -0.686 25645 2313 1 7 . 1 1 151 151 THR H H 151 8.295 8.295 8.073 0.222 25645 2314 1 7 . 1 1 152 152 GLN N N 152 119.655 119.655 120.021 -0.366 25645 2315 1 7 . 1 1 152 152 GLN HA H 152 4.433 4.433 4.370 0.063 25645 2316 1 7 . 1 1 152 152 GLN CA C 152 54.247 54.247 56.282 -2.035 25645 2317 1 7 . 1 1 152 152 GLN CB C 152 28.118 28.118 29.928 -1.810 25645 2318 1 7 . 1 1 153 153 VAL N N 153 120.424 120.424 120.584 -0.160 25645 2319 1 7 . 1 1 153 153 VAL HA H 153 4.584 4.584 3.971 0.613 25645 2320 1 7 . 1 1 153 153 VAL CA C 153 62.129 62.129 63.110 -0.981 25645 2321 1 7 . 1 1 153 153 VAL CB C 153 30.632 30.632 30.663 -0.031 25645 2322 1 7 . 1 1 153 153 VAL H H 153 6.881 6.881 7.825 -0.944 25645 2323 1 7 . 1 1 154 154 SER N N 154 124.948 124.948 124.559 0.389 25645 2324 1 7 . 1 1 154 154 SER CA C 154 56.292 56.292 56.864 -0.572 25645 2325 1 7 . 1 1 154 154 SER CB C 154 66.028 66.028 64.852 1.176 25645 2326 1 7 . 1 1 154 154 SER H H 154 9.507 9.507 8.274 1.233 25645 2327 1 7 . 1 1 155 155 SER N N 155 114.211 114.211 115.924 -1.713 25645 2328 1 7 . 1 1 155 155 SER CA C 155 56.407 56.407 57.463 -1.056 25645 2329 1 7 . 1 1 155 155 SER CB C 155 66.880 66.880 66.076 0.804 25645 2330 1 7 . 1 1 155 155 SER H H 155 8.390 8.390 8.232 0.158 25645 2331 1 7 . 1 1 156 156 SER N N 156 114.400 114.400 120.525 -6.125 25645 2332 1 7 . 1 1 156 156 SER CA C 156 57.035 57.035 57.765 -0.730 25645 2333 1 7 . 1 1 156 156 SER CB C 156 65.136 65.136 64.407 0.729 25645 2334 1 7 . 1 1 156 156 SER H H 156 8.679 8.679 9.048 -0.369 25645 2335 1 7 . 1 1 157 157 LEU N N 157 127.132 127.132 124.260 2.872 25645 2336 1 7 . 1 1 157 157 LEU CA C 157 52.943 52.943 53.465 -0.522 25645 2337 1 7 . 1 1 157 157 LEU CB C 157 43.606 43.606 45.898 -2.292 25645 2338 1 7 . 1 1 157 157 LEU H H 157 8.623 8.623 8.408 0.215 25645 2339 1 7 . 1 1 158 158 SER N N 158 124.449 124.449 119.490 4.959 25645 2340 1 7 . 1 1 158 158 SER CA C 158 55.551 55.551 54.908 0.643 25645 2341 1 7 . 1 1 158 158 SER CB C 158 63.266 63.266 65.345 -2.079 25645 2342 1 7 . 1 1 158 158 SER H H 158 8.926 8.926 8.212 0.714 25645 2343 1 7 . 1 1 159 159 PRO CA C 159 64.391 64.391 65.306 -0.915 25645 2344 1 7 . 1 1 159 159 PRO CB C 159 30.274 30.274 31.751 -1.477 25645 2345 1 7 . 1 1 160 160 GLU N N 160 113.862 113.862 115.355 -1.493 25645 2346 1 7 . 1 1 160 160 GLU HA H 160 4.315 4.315 4.173 0.142 25645 2347 1 7 . 1 1 160 160 GLU CA C 160 56.071 56.071 56.436 -0.365 25645 2348 1 7 . 1 1 160 160 GLU CB C 160 28.031 28.031 29.585 -1.554 25645 2349 1 7 . 1 1 160 160 GLU H H 160 7.884 7.884 7.640 0.244 25645 2350 1 7 . 1 1 161 161 GLY N N 161 108.198 108.198 109.098 -0.900 25645 2351 1 7 . 1 1 161 161 GLY CA C 161 45.836 45.836 45.594 0.242 25645 2352 1 7 . 1 1 161 161 GLY H H 161 8.093 8.093 8.570 -0.477 25645 2353 1 7 . 1 1 162 162 THR N N 162 113.714 113.714 113.693 0.021 25645 2354 1 7 . 1 1 162 162 THR CA C 162 61.051 61.051 60.930 0.121 25645 2355 1 7 . 1 1 162 162 THR CB C 162 68.924 68.924 68.313 0.611 25645 2356 1 7 . 1 1 162 162 THR H H 162 7.436 7.436 7.830 -0.394 25645 2357 1 7 . 1 1 163 163 LEU N N 163 106.660 106.660 130.991 -24.331 25645 2358 1 7 . 1 1 163 163 LEU CA C 163 53.400 53.400 53.099 0.302 25645 2359 1 7 . 1 1 163 163 LEU CB C 163 43.882 43.882 42.390 1.492 25645 2360 1 7 . 1 1 163 163 LEU H H 163 9.571 9.571 8.134 1.437 25645 2361 1 7 . 1 1 164 164 THR N N 164 123.931 123.931 120.788 3.143 25645 2362 1 7 . 1 1 164 164 THR CA C 164 61.246 61.246 60.570 0.676 25645 2363 1 7 . 1 1 164 164 THR CB C 164 70.034 70.034 69.525 0.509 25645 2364 1 7 . 1 1 164 164 THR H H 164 9.165 9.165 8.958 0.207 25645 2365 1 7 . 1 1 165 165 VAL N N 165 128.872 128.872 122.232 6.640 25645 2366 1 7 . 1 1 165 165 VAL HA H 165 4.887 4.887 5.099 -0.212 25645 2367 1 7 . 1 1 165 165 VAL CA C 165 60.037 60.037 59.665 0.372 25645 2368 1 7 . 1 1 165 165 VAL CB C 165 32.397 32.397 33.306 -0.909 25645 2369 1 7 . 1 1 165 165 VAL H H 165 8.892 8.892 9.196 -0.304 25645 2370 1 7 . 1 1 166 166 GLU N N 166 122.017 122.017 127.302 -5.285 25645 2371 1 7 . 1 1 166 166 GLU HA H 166 5.976 5.976 5.637 0.339 25645 2372 1 7 . 1 1 166 166 GLU CA C 166 53.604 53.604 54.439 -0.835 25645 2373 1 7 . 1 1 166 166 GLU CB C 166 34.427 34.427 32.942 1.485 25645 2374 1 7 . 1 1 166 166 GLU H H 166 8.973 8.973 8.509 0.464 25645 2375 1 7 . 1 1 167 167 ALA N N 167 121.099 121.099 123.633 -2.534 25645 2376 1 7 . 1 1 167 167 ALA CA C 167 49.696 49.696 50.990 -1.294 25645 2377 1 7 . 1 1 167 167 ALA CB C 167 21.689 21.689 21.441 0.248 25645 2378 1 7 . 1 1 167 167 ALA H H 167 9.464 9.464 9.004 0.460 25645 2379 1 7 . 1 1 168 168 PRO HA H 168 4.644 4.644 5.260 -0.616 25645 2380 1 7 . 1 1 168 168 PRO CA C 168 62.139 62.139 62.319 -0.180 25645 2381 1 7 . 1 1 168 168 PRO CB C 168 30.564 30.564 31.537 -0.973 25645 2382 1 7 . 1 1 169 169 MET N N 169 120.747 120.747 122.378 -1.631 25645 2383 1 7 . 1 1 169 169 MET CA C 169 51.702 51.702 52.126 -0.424 25645 2384 1 7 . 1 1 169 169 MET CB C 169 31.123 31.123 32.308 -1.185 25645 2385 1 7 . 1 1 169 169 MET H H 169 7.726 7.726 8.076 -0.350 25645 2386 1 7 . 1 1 170 170 PRO HA H 170 4.401 4.401 4.373 0.028 25645 2387 1 7 . 1 1 170 170 PRO CA C 170 62.148 62.148 62.441 -0.294 25645 2388 1 7 . 1 1 170 170 PRO CB C 170 30.765 30.765 30.277 0.487 25645 2389 1 7 . 1 1 171 171 LYS N N 171 123.033 123.033 124.866 -1.833 25645 2390 1 7 . 1 1 171 171 LYS HA H 171 4.300 4.300 4.068 0.232 25645 2391 1 7 . 1 1 171 171 LYS CA C 171 55.621 55.621 55.986 -0.365 25645 2392 1 7 . 1 1 171 171 LYS CB C 171 31.856 31.856 31.922 -0.066 25645 2393 1 7 . 1 1 171 171 LYS H H 171 8.296 8.296 8.005 0.291 25645 2394 1 7 . 1 1 172 172 LEU N N 172 124.281 124.281 126.955 -2.674 25645 2395 1 7 . 1 1 172 172 LEU CA C 172 54.400 54.400 55.341 -0.941 25645 2396 1 7 . 1 1 172 172 LEU CB C 172 41.389 41.389 42.475 -1.086 25645 2397 1 7 . 1 1 172 172 LEU H H 172 8.262 8.262 8.195 0.067 25645 2398 1 7 . 1 1 173 173 ALA N N 173 125.260 125.260 131.133 -5.873 25645 2399 1 7 . 1 1 173 173 ALA CA C 173 51.903 51.903 51.731 0.172 25645 2400 1 7 . 1 1 173 173 ALA CB C 173 17.894 17.894 17.503 0.391 25645 2401 1 7 . 1 1 173 173 ALA H H 173 8.343 8.343 8.654 -0.311 25645 2402 1 7 . 1 1 174 174 THR N N 174 112.925 112.925 116.667 -3.742 25645 2403 1 7 . 1 1 174 174 THR CA C 174 61.562 61.562 62.254 -0.692 25645 2404 1 7 . 1 1 174 174 THR CB C 174 69.156 69.156 68.423 0.733 25645 2405 1 7 . 1 1 174 174 THR H H 174 7.990 7.990 8.889 -0.899 25645 2406 1 7 . 1 1 175 175 GLN HA H 175 4.425 4.425 4.214 0.211 25645 2407 1 7 . 1 1 175 175 GLN CA C 175 55.430 55.430 55.979 -0.549 25645 2408 1 7 . 1 1 175 175 GLN CB C 175 28.460 28.460 27.362 1.098 25645 2409 1 8 . 1 1 80 80 GLN CA C 80 55.036 55.036 55.447 -0.411 25645 2410 1 8 . 1 1 80 80 GLN CB C 80 28.313 28.313 29.215 -0.902 25645 2411 1 8 . 1 1 81 81 LEU N N 81 125.126 125.126 120.275 4.851 25645 2412 1 8 . 1 1 81 81 LEU CB C 81 41.212 41.212 41.481 -0.269 25645 2413 1 8 . 1 1 81 81 LEU H H 81 8.563 8.563 8.640 -0.077 25645 2414 1 8 . 1 1 84 84 GLY CA C 84 44.806 44.806 44.510 0.296 25645 2415 1 8 . 1 1 85 85 VAL N N 85 120.010 120.010 123.727 -3.717 25645 2416 1 8 . 1 1 85 85 VAL CA C 85 62.182 62.182 63.388 -1.206 25645 2417 1 8 . 1 1 85 85 VAL CB C 85 31.766 31.766 31.070 0.696 25645 2418 1 8 . 1 1 85 85 VAL H H 85 7.975 7.975 8.464 -0.489 25645 2419 1 8 . 1 1 86 86 SER CA C 86 57.128 57.128 57.492 -0.364 25645 2420 1 8 . 1 1 86 86 SER CB C 86 63.886 63.886 65.131 -1.245 25645 2421 1 8 . 1 1 87 87 GLU N N 87 124.764 124.764 120.986 3.778 25645 2422 1 8 . 1 1 87 87 GLU CA C 87 55.702 55.702 57.638 -1.936 25645 2423 1 8 . 1 1 88 88 ILE CA C 88 59.909 59.909 61.739 -1.829 25645 2424 1 8 . 1 1 88 88 ILE CB C 88 35.909 35.909 35.957 -0.048 25645 2425 1 8 . 1 1 89 89 ARG N N 89 126.800 126.800 123.727 3.073 25645 2426 1 8 . 1 1 89 89 ARG CA C 89 54.024 54.024 55.989 -1.965 25645 2427 1 8 . 1 1 89 89 ARG CB C 89 30.285 30.285 30.842 -0.557 25645 2428 1 8 . 1 1 89 89 ARG H H 89 8.231 8.231 8.108 0.123 25645 2429 1 8 . 1 1 93 93 ASP HA H 93 4.745 4.745 4.508 0.237 25645 2430 1 8 . 1 1 93 93 ASP CA C 93 53.541 53.541 55.590 -2.049 25645 2431 1 8 . 1 1 93 93 ASP CB C 93 41.335 41.335 41.219 0.116 25645 2432 1 8 . 1 1 94 94 ARG N N 94 121.910 121.910 118.802 3.108 25645 2433 1 8 . 1 1 94 94 ARG HA H 94 4.823 4.823 4.553 0.270 25645 2434 1 8 . 1 1 94 94 ARG CA C 94 54.982 54.982 55.009 -0.027 25645 2435 1 8 . 1 1 94 94 ARG CB C 94 32.387 32.387 31.620 0.767 25645 2436 1 8 . 1 1 94 94 ARG H H 94 7.811 7.811 8.056 -0.245 25645 2437 1 8 . 1 1 95 95 TRP N N 95 129.134 129.134 125.542 3.592 25645 2438 1 8 . 1 1 95 95 TRP CA C 95 55.731 55.731 56.790 -1.059 25645 2439 1 8 . 1 1 95 95 TRP CB C 95 29.371 29.371 31.306 -1.935 25645 2440 1 8 . 1 1 95 95 TRP H H 95 9.067 9.067 8.633 0.434 25645 2441 1 8 . 1 1 96 96 ARG HA H 96 5.022 5.022 4.827 0.195 25645 2442 1 8 . 1 1 96 96 ARG CA C 96 55.252 55.252 55.355 -0.103 25645 2443 1 8 . 1 1 96 96 ARG CB C 96 32.455 32.455 31.607 0.848 25645 2444 1 8 . 1 1 97 97 VAL N N 97 119.924 119.924 126.745 -6.821 25645 2445 1 8 . 1 1 97 97 VAL HA H 97 4.474 4.474 4.333 0.141 25645 2446 1 8 . 1 1 97 97 VAL CA C 97 58.208 58.208 60.188 -1.980 25645 2447 1 8 . 1 1 97 97 VAL CB C 97 34.114 34.114 35.840 -1.726 25645 2448 1 8 . 1 1 97 97 VAL H H 97 8.316 8.316 8.836 -0.520 25645 2449 1 8 . 1 1 98 98 SER N N 98 116.475 116.475 117.859 -1.384 25645 2450 1 8 . 1 1 98 98 SER CA C 98 56.851 56.851 57.331 -0.480 25645 2451 1 8 . 1 1 98 98 SER CB C 98 66.291 66.291 65.307 0.984 25645 2452 1 8 . 1 1 99 99 LEU N N 99 122.870 122.870 125.403 -2.533 25645 2453 1 8 . 1 1 99 99 LEU CA C 99 53.560 53.560 53.917 -0.357 25645 2454 1 8 . 1 1 99 99 LEU CB C 99 44.394 44.394 41.921 2.473 25645 2455 1 8 . 1 1 99 99 LEU H H 99 9.161 9.161 9.224 -0.063 25645 2456 1 8 . 1 1 100 100 ASP CA C 100 53.766 53.766 55.763 -1.997 25645 2457 1 8 . 1 1 100 100 ASP CB C 100 39.856 39.856 40.335 -0.479 25645 2458 1 8 . 1 1 101 101 VAL N N 101 121.612 121.612 120.756 0.856 25645 2459 1 8 . 1 1 101 101 VAL CA C 101 58.728 58.728 63.100 -4.372 25645 2460 1 8 . 1 1 101 101 VAL CB C 101 30.010 30.010 33.174 -3.164 25645 2461 1 8 . 1 1 101 101 VAL H H 101 8.484 8.484 8.278 0.206 25645 2462 1 8 . 1 1 102 102 ASN N N 102 118.997 118.997 118.699 0.298 25645 2463 1 8 . 1 1 102 102 ASN CA C 102 56.518 56.518 54.053 2.465 25645 2464 1 8 . 1 1 102 102 ASN CB C 102 38.488 38.488 37.346 1.142 25645 2465 1 8 . 1 1 102 102 ASN H H 102 8.010 8.010 8.219 -0.209 25645 2466 1 8 . 1 1 103 103 HIS N N 103 114.123 114.123 120.905 -6.782 25645 2467 1 8 . 1 1 103 103 HIS HA H 103 4.290 4.290 4.162 0.128 25645 2468 1 8 . 1 1 103 103 HIS CA C 103 57.386 57.386 58.996 -1.610 25645 2469 1 8 . 1 1 103 103 HIS CB C 103 29.639 29.639 28.890 0.749 25645 2470 1 8 . 1 1 103 103 HIS H H 103 7.817 7.817 7.986 -0.169 25645 2471 1 8 . 1 1 104 104 PHE N N 104 117.452 117.452 111.971 5.481 25645 2472 1 8 . 1 1 104 104 PHE CA C 104 57.411 57.411 56.942 0.469 25645 2473 1 8 . 1 1 104 104 PHE CB C 104 40.120 40.120 39.155 0.965 25645 2474 1 8 . 1 1 104 104 PHE H H 104 8.315 8.315 6.185 2.130 25645 2475 1 8 . 1 1 105 105 ALA N N 105 126.820 126.820 124.038 2.782 25645 2476 1 8 . 1 1 105 105 ALA CA C 105 49.383 49.383 49.252 0.131 25645 2477 1 8 . 1 1 105 105 ALA CB C 105 17.252 17.252 19.574 -2.322 25645 2478 1 8 . 1 1 105 105 ALA H H 105 9.290 9.290 8.055 1.235 25645 2479 1 8 . 1 1 106 106 PRO CA C 106 65.904 65.904 64.274 1.630 25645 2480 1 8 . 1 1 106 106 PRO CB C 106 30.445 30.445 32.380 -1.935 25645 2481 1 8 . 1 1 107 107 ASP N N 107 110.250 110.250 119.018 -8.768 25645 2482 1 8 . 1 1 107 107 ASP CA C 107 53.849 53.849 55.699 -1.850 25645 2483 1 8 . 1 1 107 107 ASP CB C 107 38.993 38.993 40.986 -1.993 25645 2484 1 8 . 1 1 107 107 ASP H H 107 8.122 8.122 8.621 -0.499 25645 2485 1 8 . 1 1 108 108 GLU N N 108 120.254 120.254 120.424 -0.170 25645 2486 1 8 . 1 1 108 108 GLU CA C 108 55.584 55.584 56.281 -0.697 25645 2487 1 8 . 1 1 108 108 GLU CB C 108 28.838 28.838 28.055 0.783 25645 2488 1 8 . 1 1 108 108 GLU H H 108 8.164 8.164 8.581 -0.417 25645 2489 1 8 . 1 1 109 109 LEU N N 109 120.135 120.135 121.683 -1.548 25645 2490 1 8 . 1 1 109 109 LEU CA C 109 52.717 52.717 53.660 -0.943 25645 2491 1 8 . 1 1 109 109 LEU CB C 109 45.419 45.419 45.750 -0.331 25645 2492 1 8 . 1 1 109 109 LEU H H 109 7.113 7.113 7.673 -0.560 25645 2493 1 8 . 1 1 110 110 THR N N 110 115.508 115.508 122.386 -6.878 25645 2494 1 8 . 1 1 110 110 THR CA C 110 60.148 60.148 61.297 -1.149 25645 2495 1 8 . 1 1 110 110 THR CB C 110 71.203 71.203 70.685 0.518 25645 2496 1 8 . 1 1 111 111 VAL N N 111 124.271 124.271 127.568 -3.297 25645 2497 1 8 . 1 1 111 111 VAL HA H 111 4.824 4.824 4.266 0.558 25645 2498 1 8 . 1 1 111 111 VAL CA C 111 61.069 61.069 62.287 -1.218 25645 2499 1 8 . 1 1 111 111 VAL CB C 111 32.613 32.613 32.212 0.401 25645 2500 1 8 . 1 1 111 111 VAL H H 111 8.448 8.448 8.783 -0.335 25645 2501 1 8 . 1 1 112 112 LYS N N 112 127.684 127.684 128.863 -1.179 25645 2502 1 8 . 1 1 112 112 LYS CA C 112 54.406 54.406 54.733 -0.327 25645 2503 1 8 . 1 1 112 112 LYS CB C 112 35.342 35.342 34.840 0.502 25645 2504 1 8 . 1 1 112 112 LYS H H 112 9.060 9.060 8.337 0.723 25645 2505 1 8 . 1 1 113 113 THR N N 113 118.383 118.383 120.562 -2.179 25645 2506 1 8 . 1 1 113 113 THR CA C 113 60.487 60.487 61.967 -1.480 25645 2507 1 8 . 1 1 113 113 THR CB C 113 68.992 68.992 69.769 -0.777 25645 2508 1 8 . 1 1 113 113 THR H H 113 8.536 8.536 8.620 -0.084 25645 2509 1 8 . 1 1 114 114 LYS N N 114 125.354 125.354 127.379 -2.025 25645 2510 1 8 . 1 1 114 114 LYS CA C 114 55.481 55.481 54.959 0.522 25645 2511 1 8 . 1 1 114 114 LYS CB C 114 33.686 33.686 33.531 0.155 25645 2512 1 8 . 1 1 114 114 LYS H H 114 8.650 8.650 9.202 -0.552 25645 2513 1 8 . 1 1 115 115 ASP N N 115 124.373 124.373 127.156 -2.783 25645 2514 1 8 . 1 1 115 115 ASP HA H 115 4.373 4.373 4.365 0.008 25645 2515 1 8 . 1 1 115 115 ASP CA C 115 55.485 55.485 55.525 -0.040 25645 2516 1 8 . 1 1 115 115 ASP CB C 115 39.176 39.176 39.812 -0.636 25645 2517 1 8 . 1 1 115 115 ASP H H 115 9.018 9.018 9.383 -0.365 25645 2518 1 8 . 1 1 116 116 GLY N N 116 105.265 105.265 104.502 0.763 25645 2519 1 8 . 1 1 116 116 GLY CA C 116 45.343 45.343 44.971 0.372 25645 2520 1 8 . 1 1 116 116 GLY H H 116 8.677 8.677 8.090 0.587 25645 2521 1 8 . 1 1 117 117 VAL N N 117 120.174 120.174 122.545 -2.371 25645 2522 1 8 . 1 1 117 117 VAL HA H 117 5.008 5.008 4.455 0.553 25645 2523 1 8 . 1 1 117 117 VAL CA C 117 59.834 59.834 62.460 -2.626 25645 2524 1 8 . 1 1 117 117 VAL CB C 117 34.800 34.800 32.112 2.688 25645 2525 1 8 . 1 1 117 117 VAL H H 117 7.790 7.790 8.435 -0.645 25645 2526 1 8 . 1 1 118 118 VAL N N 118 125.349 125.349 128.684 -3.335 25645 2527 1 8 . 1 1 118 118 VAL HA H 118 4.676 4.676 4.343 0.333 25645 2528 1 8 . 1 1 118 118 VAL CA C 118 60.349 60.349 61.809 -1.460 25645 2529 1 8 . 1 1 118 118 VAL CB C 118 32.602 32.602 32.678 -0.076 25645 2530 1 8 . 1 1 119 119 GLU N N 119 128.922 128.922 128.112 0.810 25645 2531 1 8 . 1 1 119 119 GLU CA C 119 53.883 53.883 54.618 -0.736 25645 2532 1 8 . 1 1 119 119 GLU CB C 119 32.066 32.066 34.101 -2.035 25645 2533 1 8 . 1 1 119 119 GLU H H 119 9.417 9.417 8.275 1.142 25645 2534 1 8 . 1 1 120 120 ILE N N 120 129.583 129.583 124.205 5.378 25645 2535 1 8 . 1 1 120 120 ILE CA C 120 59.681 59.681 59.751 -0.070 25645 2536 1 8 . 1 1 120 120 ILE CB C 120 40.042 40.042 40.652 -0.610 25645 2537 1 8 . 1 1 120 120 ILE H H 120 9.616 9.616 8.667 0.949 25645 2538 1 8 . 1 1 121 121 THR N N 121 121.955 121.955 122.422 -0.467 25645 2539 1 8 . 1 1 121 121 THR CA C 121 59.950 59.950 61.435 -1.485 25645 2540 1 8 . 1 1 121 121 THR CB C 121 70.943 70.943 69.252 1.691 25645 2541 1 8 . 1 1 121 121 THR H H 121 8.686 8.686 9.101 -0.415 25645 2542 1 8 . 1 1 122 122 GLY N N 122 111.809 111.809 113.105 -1.296 25645 2543 1 8 . 1 1 122 122 GLY CA C 122 43.346 43.346 45.201 -1.855 25645 2544 1 8 . 1 1 122 122 GLY H H 122 6.961 6.961 8.149 -1.188 25645 2545 1 8 . 1 1 123 123 LYS N N 123 122.817 122.817 124.141 -1.324 25645 2546 1 8 . 1 1 123 123 LYS CA C 123 56.015 56.015 54.248 1.767 25645 2547 1 8 . 1 1 123 123 LYS CB C 123 33.748 33.748 36.533 -2.785 25645 2548 1 8 . 1 1 123 123 LYS H H 123 8.041 8.041 7.756 0.285 25645 2549 1 8 . 1 1 124 124 HIS N N 124 122.330 122.330 116.644 5.686 25645 2550 1 8 . 1 1 124 124 HIS CA C 124 53.525 53.525 53.980 -0.455 25645 2551 1 8 . 1 1 124 124 HIS CB C 124 32.205 32.205 32.444 -0.239 25645 2552 1 8 . 1 1 124 124 HIS H H 124 9.090 9.090 8.082 1.008 25645 2553 1 8 . 1 1 125 125 GLU N N 125 122.817 122.817 120.563 2.254 25645 2554 1 8 . 1 1 125 125 GLU HA H 125 4.418 4.418 4.417 0.001 25645 2555 1 8 . 1 1 125 125 GLU CA C 125 54.377 54.377 55.978 -1.601 25645 2556 1 8 . 1 1 125 125 GLU CB C 125 29.304 29.304 31.143 -1.839 25645 2557 1 8 . 1 1 126 126 GLU N N 126 118.410 118.410 120.412 -2.002 25645 2558 1 8 . 1 1 126 126 GLU HA H 126 4.155 4.155 3.888 0.267 25645 2559 1 8 . 1 1 126 126 GLU CA C 126 57.815 57.815 58.071 -0.256 25645 2560 1 8 . 1 1 126 126 GLU CB C 126 29.373 29.373 29.490 -0.117 25645 2561 1 8 . 1 1 126 126 GLU H H 126 8.800 8.800 8.526 0.274 25645 2562 1 8 . 1 1 127 127 ARG N N 127 124.867 124.867 125.029 -0.162 25645 2563 1 8 . 1 1 127 127 ARG HA H 127 4.880 4.880 4.550 0.330 25645 2564 1 8 . 1 1 127 127 ARG CA C 127 53.544 53.544 54.182 -0.638 25645 2565 1 8 . 1 1 127 127 ARG CB C 127 32.379 32.379 32.739 -0.360 25645 2566 1 8 . 1 1 127 127 ARG H H 127 8.921 8.921 7.937 0.984 25645 2567 1 8 . 1 1 128 128 GLN N N 128 122.883 122.883 123.219 -0.336 25645 2568 1 8 . 1 1 128 128 GLN HA H 128 4.503 4.503 4.474 0.029 25645 2569 1 8 . 1 1 128 128 GLN CA C 128 55.175 55.175 55.845 -0.670 25645 2570 1 8 . 1 1 128 128 GLN CB C 128 28.933 28.933 29.896 -0.963 25645 2571 1 8 . 1 1 128 128 GLN H H 128 8.758 8.758 8.560 0.198 25645 2572 1 8 . 1 1 129 129 ASP N N 129 128.171 128.171 126.549 1.622 25645 2573 1 8 . 1 1 129 129 ASP CA C 129 51.655 51.655 52.722 -1.067 25645 2574 1 8 . 1 1 129 129 ASP CB C 129 41.155 41.155 43.743 -2.588 25645 2575 1 8 . 1 1 129 129 ASP H H 129 8.892 8.892 8.545 0.347 25645 2576 1 8 . 1 1 130 130 GLU N N 130 114.822 114.822 121.516 -6.694 25645 2577 1 8 . 1 1 130 130 GLU HA H 130 3.947 3.947 4.043 -0.096 25645 2578 1 8 . 1 1 130 130 GLU CA C 130 58.201 58.201 57.807 0.394 25645 2579 1 8 . 1 1 130 130 GLU CB C 130 28.013 28.013 29.545 -1.532 25645 2580 1 8 . 1 1 130 130 GLU H H 130 8.799 8.799 8.753 0.046 25645 2581 1 8 . 1 1 131 131 HIS N N 131 115.145 115.145 115.761 -0.616 25645 2582 1 8 . 1 1 131 131 HIS HA H 131 4.980 4.980 4.746 0.234 25645 2583 1 8 . 1 1 131 131 HIS CA C 131 55.377 55.377 55.412 -0.035 25645 2584 1 8 . 1 1 131 131 HIS CB C 131 32.300 32.300 29.660 2.640 25645 2585 1 8 . 1 1 131 131 HIS H H 131 7.794 7.794 8.410 -0.616 25645 2586 1 8 . 1 1 132 132 GLY N N 132 108.839 108.839 107.485 1.354 25645 2587 1 8 . 1 1 132 132 GLY CA C 132 45.750 45.750 44.580 1.170 25645 2588 1 8 . 1 1 132 132 GLY H H 132 7.516 7.516 7.794 -0.278 25645 2589 1 8 . 1 1 133 133 TYR N N 133 122.032 122.032 119.419 2.613 25645 2590 1 8 . 1 1 133 133 TYR CA C 133 56.072 56.072 56.537 -0.465 25645 2591 1 8 . 1 1 133 133 TYR CB C 133 41.340 41.340 39.973 1.367 25645 2592 1 8 . 1 1 133 133 TYR H H 133 8.355 8.355 8.082 0.273 25645 2593 1 8 . 1 1 134 134 ILE N N 134 118.356 118.356 124.700 -6.344 25645 2594 1 8 . 1 1 134 134 ILE CA C 134 57.630 57.630 60.641 -3.011 25645 2595 1 8 . 1 1 134 134 ILE CB C 134 41.527 41.527 40.222 1.305 25645 2596 1 8 . 1 1 134 134 ILE H H 134 8.949 8.949 8.929 0.020 25645 2597 1 8 . 1 1 135 135 SER N N 135 123.022 123.022 123.322 -0.300 25645 2598 1 8 . 1 1 135 135 SER CA C 135 56.890 56.890 57.301 -0.411 25645 2599 1 8 . 1 1 135 135 SER CB C 135 65.803 65.803 65.742 0.061 25645 2600 1 8 . 1 1 136 136 ARG N N 136 114.983 114.983 121.350 -6.367 25645 2601 1 8 . 1 1 136 136 ARG CA C 136 55.300 55.300 54.190 1.110 25645 2602 1 8 . 1 1 136 136 ARG CB C 136 36.804 36.804 32.368 4.436 25645 2603 1 8 . 1 1 136 136 ARG H H 136 5.916 5.916 9.328 -3.412 25645 2604 1 8 . 1 1 137 137 CYS N N 137 117.966 117.966 116.512 1.454 25645 2605 1 8 . 1 1 137 137 CYS CA C 137 55.918 55.918 57.043 -1.125 25645 2606 1 8 . 1 1 137 137 CYS CB C 137 41.577 41.577 28.975 12.602 25645 2607 1 8 . 1 1 137 137 CYS H H 137 9.616 9.616 8.180 1.436 25645 2608 1 8 . 1 1 138 138 PHE N N 138 120.959 120.959 125.971 -5.012 25645 2609 1 8 . 1 1 138 138 PHE CA C 138 57.921 57.921 57.419 0.502 25645 2610 1 8 . 1 1 138 138 PHE CB C 138 40.796 40.796 41.203 -0.406 25645 2611 1 8 . 1 1 138 138 PHE H H 138 9.306 9.306 9.427 -0.121 25645 2612 1 8 . 1 1 139 139 THR N N 139 115.870 115.870 119.578 -3.708 25645 2613 1 8 . 1 1 139 139 THR CA C 139 62.202 62.202 61.337 0.865 25645 2614 1 8 . 1 1 139 139 THR CB C 139 71.765 71.765 70.624 1.141 25645 2615 1 8 . 1 1 139 139 THR H H 139 8.336 8.336 8.428 -0.092 25645 2616 1 8 . 1 1 140 140 ARG N N 140 129.223 129.223 124.050 5.173 25645 2617 1 8 . 1 1 140 140 ARG CA C 140 53.286 53.286 55.713 -2.427 25645 2618 1 8 . 1 1 140 140 ARG CB C 140 32.505 32.505 33.960 -1.455 25645 2619 1 8 . 1 1 140 140 ARG H H 140 9.858 9.858 8.458 1.400 25645 2620 1 8 . 1 1 141 141 LYS N N 141 123.968 123.968 124.735 -0.767 25645 2621 1 8 . 1 1 141 141 LYS HA H 141 5.677 5.677 5.027 0.650 25645 2622 1 8 . 1 1 141 141 LYS CA C 141 53.931 53.931 56.231 -2.300 25645 2623 1 8 . 1 1 141 141 LYS CB C 141 35.675 35.675 34.873 0.801 25645 2624 1 8 . 1 1 141 141 LYS H H 141 8.788 8.788 8.697 0.091 25645 2625 1 8 . 1 1 142 142 TYR N N 142 121.120 121.120 127.730 -6.610 25645 2626 1 8 . 1 1 142 142 TYR CA C 142 55.983 55.983 55.810 0.173 25645 2627 1 8 . 1 1 142 142 TYR CB C 142 41.189 41.189 39.527 1.662 25645 2628 1 8 . 1 1 142 142 TYR H H 142 9.335 9.335 9.763 -0.428 25645 2629 1 8 . 1 1 143 143 THR N N 143 119.260 119.260 122.030 -2.770 25645 2630 1 8 . 1 1 143 143 THR CA C 143 62.091 62.091 63.008 -0.916 25645 2631 1 8 . 1 1 143 143 THR CB C 143 68.728 68.728 68.641 0.087 25645 2632 1 8 . 1 1 143 143 THR H H 143 8.907 8.907 8.918 -0.011 25645 2633 1 8 . 1 1 144 144 LEU N N 144 128.655 128.655 129.188 -0.533 25645 2634 1 8 . 1 1 144 144 LEU CA C 144 52.057 52.057 51.561 0.496 25645 2635 1 8 . 1 1 144 144 LEU CB C 144 40.611 40.611 42.671 -2.060 25645 2636 1 8 . 1 1 144 144 LEU H H 144 8.190 8.190 7.994 0.196 25645 2637 1 8 . 1 1 146 146 PRO CA C 146 62.697 62.697 62.683 0.014 25645 2638 1 8 . 1 1 146 146 PRO CB C 146 30.337 30.337 29.612 0.725 25645 2639 1 8 . 1 1 147 147 GLY N N 147 109.243 109.243 106.108 3.135 25645 2640 1 8 . 1 1 147 147 GLY CA C 147 44.659 44.659 45.461 -0.802 25645 2641 1 8 . 1 1 147 147 GLY H H 147 8.473 8.473 8.006 0.467 25645 2642 1 8 . 1 1 148 148 VAL N N 148 120.323 120.323 124.405 -4.082 25645 2643 1 8 . 1 1 148 148 VAL HA H 148 3.867 3.867 4.307 -0.440 25645 2644 1 8 . 1 1 148 148 VAL CA C 148 62.132 62.132 62.151 -0.019 25645 2645 1 8 . 1 1 148 148 VAL CB C 148 30.798 30.798 32.918 -2.120 25645 2646 1 8 . 1 1 148 148 VAL H H 148 7.020 7.020 7.508 -0.488 25645 2647 1 8 . 1 1 149 149 ASP N N 149 130.411 130.411 128.549 1.862 25645 2648 1 8 . 1 1 149 149 ASP CA C 149 49.931 49.931 51.818 -1.887 25645 2649 1 8 . 1 1 149 149 ASP CB C 149 40.925 40.925 42.358 -1.433 25645 2650 1 8 . 1 1 149 149 ASP H H 149 8.798 8.798 8.585 0.213 25645 2651 1 8 . 1 1 150 150 PRO HA H 150 4.039 4.039 4.610 -0.571 25645 2652 1 8 . 1 1 150 150 PRO CA C 150 64.379 64.379 64.184 0.195 25645 2653 1 8 . 1 1 150 150 PRO CB C 150 31.158 31.158 32.769 -1.611 25645 2654 1 8 . 1 1 151 151 THR N N 151 108.501 108.501 110.158 -1.657 25645 2655 1 8 . 1 1 151 151 THR CA C 151 63.540 63.540 63.546 -0.006 25645 2656 1 8 . 1 1 151 151 THR CB C 151 68.784 68.784 69.302 -0.518 25645 2657 1 8 . 1 1 151 151 THR H H 151 8.295 8.295 8.233 0.062 25645 2658 1 8 . 1 1 152 152 GLN N N 152 119.655 119.655 120.237 -0.582 25645 2659 1 8 . 1 1 152 152 GLN HA H 152 4.433 4.433 4.430 0.003 25645 2660 1 8 . 1 1 152 152 GLN CA C 152 54.247 54.247 56.304 -2.057 25645 2661 1 8 . 1 1 152 152 GLN CB C 152 28.118 28.118 30.023 -1.905 25645 2662 1 8 . 1 1 153 153 VAL N N 153 120.424 120.424 120.977 -0.553 25645 2663 1 8 . 1 1 153 153 VAL HA H 153 4.584 4.584 4.044 0.540 25645 2664 1 8 . 1 1 153 153 VAL CA C 153 62.129 62.129 62.110 0.019 25645 2665 1 8 . 1 1 153 153 VAL CB C 153 30.632 30.632 30.278 0.354 25645 2666 1 8 . 1 1 153 153 VAL H H 153 6.881 6.881 7.633 -0.752 25645 2667 1 8 . 1 1 154 154 SER N N 154 124.948 124.948 123.398 1.550 25645 2668 1 8 . 1 1 154 154 SER CA C 154 56.292 56.292 57.339 -1.047 25645 2669 1 8 . 1 1 154 154 SER CB C 154 66.028 66.028 64.523 1.505 25645 2670 1 8 . 1 1 154 154 SER H H 154 9.507 9.507 8.005 1.502 25645 2671 1 8 . 1 1 155 155 SER N N 155 114.211 114.211 115.278 -1.067 25645 2672 1 8 . 1 1 155 155 SER CA C 155 56.407 56.407 57.502 -1.095 25645 2673 1 8 . 1 1 155 155 SER CB C 155 66.880 66.880 66.689 0.191 25645 2674 1 8 . 1 1 155 155 SER H H 155 8.390 8.390 8.120 0.270 25645 2675 1 8 . 1 1 156 156 SER N N 156 114.400 114.400 118.712 -4.312 25645 2676 1 8 . 1 1 156 156 SER CA C 156 57.035 57.035 57.594 -0.559 25645 2677 1 8 . 1 1 156 156 SER CB C 156 65.136 65.136 65.053 0.083 25645 2678 1 8 . 1 1 156 156 SER H H 156 8.679 8.679 8.953 -0.274 25645 2679 1 8 . 1 1 157 157 LEU N N 157 127.132 127.132 124.224 2.908 25645 2680 1 8 . 1 1 157 157 LEU CA C 157 52.943 52.943 53.773 -0.830 25645 2681 1 8 . 1 1 157 157 LEU CB C 157 43.606 43.606 46.012 -2.406 25645 2682 1 8 . 1 1 157 157 LEU H H 157 8.623 8.623 8.424 0.199 25645 2683 1 8 . 1 1 158 158 SER N N 158 124.449 124.449 117.883 6.566 25645 2684 1 8 . 1 1 158 158 SER CA C 158 55.551 55.551 55.249 0.302 25645 2685 1 8 . 1 1 158 158 SER CB C 158 63.266 63.266 64.838 -1.571 25645 2686 1 8 . 1 1 158 158 SER H H 158 8.926 8.926 7.977 0.949 25645 2687 1 8 . 1 1 159 159 PRO CA C 159 64.391 64.391 65.067 -0.676 25645 2688 1 8 . 1 1 159 159 PRO CB C 159 30.274 30.274 31.990 -1.716 25645 2689 1 8 . 1 1 160 160 GLU N N 160 113.862 113.862 114.634 -0.772 25645 2690 1 8 . 1 1 160 160 GLU HA H 160 4.315 4.315 3.124 1.191 25645 2691 1 8 . 1 1 160 160 GLU CA C 160 56.071 56.071 55.752 0.319 25645 2692 1 8 . 1 1 160 160 GLU CB C 160 28.031 28.031 27.470 0.561 25645 2693 1 8 . 1 1 160 160 GLU H H 160 7.884 7.884 8.178 -0.294 25645 2694 1 8 . 1 1 161 161 GLY N N 161 108.198 108.198 107.387 0.811 25645 2695 1 8 . 1 1 161 161 GLY CA C 161 45.836 45.836 45.737 0.099 25645 2696 1 8 . 1 1 161 161 GLY H H 161 8.093 8.093 7.796 0.297 25645 2697 1 8 . 1 1 162 162 THR N N 162 113.714 113.714 114.955 -1.241 25645 2698 1 8 . 1 1 162 162 THR CA C 162 61.051 61.051 61.507 -0.456 25645 2699 1 8 . 1 1 162 162 THR CB C 162 68.924 68.924 69.182 -0.258 25645 2700 1 8 . 1 1 162 162 THR H H 162 7.436 7.436 7.364 0.072 25645 2701 1 8 . 1 1 163 163 LEU N N 163 106.660 106.660 131.358 -24.698 25645 2702 1 8 . 1 1 163 163 LEU CA C 163 53.400 53.400 52.254 1.146 25645 2703 1 8 . 1 1 163 163 LEU CB C 163 43.882 43.882 44.376 -0.494 25645 2704 1 8 . 1 1 163 163 LEU H H 163 9.571 9.571 8.557 1.014 25645 2705 1 8 . 1 1 164 164 THR N N 164 123.931 123.931 122.143 1.788 25645 2706 1 8 . 1 1 164 164 THR CA C 164 61.246 61.246 60.289 0.957 25645 2707 1 8 . 1 1 164 164 THR CB C 164 70.034 70.034 69.552 0.482 25645 2708 1 8 . 1 1 164 164 THR H H 164 9.165 9.165 9.112 0.053 25645 2709 1 8 . 1 1 165 165 VAL N N 165 128.872 128.872 123.098 5.774 25645 2710 1 8 . 1 1 165 165 VAL HA H 165 4.887 4.887 4.860 0.027 25645 2711 1 8 . 1 1 165 165 VAL CA C 165 60.037 60.037 59.248 0.789 25645 2712 1 8 . 1 1 165 165 VAL CB C 165 32.397 32.397 32.938 -0.541 25645 2713 1 8 . 1 1 165 165 VAL H H 165 8.892 8.892 9.124 -0.232 25645 2714 1 8 . 1 1 166 166 GLU N N 166 122.017 122.017 127.315 -5.298 25645 2715 1 8 . 1 1 166 166 GLU HA H 166 5.976 5.976 5.441 0.535 25645 2716 1 8 . 1 1 166 166 GLU CA C 166 53.604 53.604 54.203 -0.599 25645 2717 1 8 . 1 1 166 166 GLU CB C 166 34.427 34.427 32.008 2.420 25645 2718 1 8 . 1 1 166 166 GLU H H 166 8.973 8.973 8.413 0.560 25645 2719 1 8 . 1 1 167 167 ALA N N 167 121.099 121.099 124.446 -3.347 25645 2720 1 8 . 1 1 167 167 ALA CA C 167 49.696 49.696 50.851 -1.155 25645 2721 1 8 . 1 1 167 167 ALA CB C 167 21.689 21.689 21.419 0.270 25645 2722 1 8 . 1 1 167 167 ALA H H 167 9.464 9.464 8.621 0.843 25645 2723 1 8 . 1 1 168 168 PRO HA H 168 4.644 4.644 4.669 -0.025 25645 2724 1 8 . 1 1 168 168 PRO CA C 168 62.139 62.139 62.592 -0.453 25645 2725 1 8 . 1 1 168 168 PRO CB C 168 30.564 30.564 31.063 -0.499 25645 2726 1 8 . 1 1 169 169 MET N N 169 120.747 120.747 123.528 -2.781 25645 2727 1 8 . 1 1 169 169 MET CA C 169 51.702 51.702 52.256 -0.554 25645 2728 1 8 . 1 1 169 169 MET CB C 169 31.123 31.123 32.391 -1.268 25645 2729 1 8 . 1 1 169 169 MET H H 169 7.726 7.726 8.017 -0.291 25645 2730 1 8 . 1 1 170 170 PRO HA H 170 4.401 4.401 4.408 -0.007 25645 2731 1 8 . 1 1 170 170 PRO CA C 170 62.148 62.148 62.516 -0.367 25645 2732 1 8 . 1 1 170 170 PRO CB C 170 30.765 30.765 31.072 -0.307 25645 2733 1 8 . 1 1 171 171 LYS N N 171 123.033 123.033 124.909 -1.876 25645 2734 1 8 . 1 1 171 171 LYS HA H 171 4.300 4.300 4.134 0.166 25645 2735 1 8 . 1 1 171 171 LYS CA C 171 55.621 55.621 56.196 -0.575 25645 2736 1 8 . 1 1 171 171 LYS CB C 171 31.856 31.856 30.227 1.629 25645 2737 1 8 . 1 1 171 171 LYS H H 171 8.296 8.296 8.458 -0.162 25645 2738 1 8 . 1 1 172 172 LEU N N 172 124.281 124.281 122.891 1.390 25645 2739 1 8 . 1 1 172 172 LEU CA C 172 54.400 54.400 57.129 -2.729 25645 2740 1 8 . 1 1 172 172 LEU CB C 172 41.389 41.389 41.787 -0.398 25645 2741 1 8 . 1 1 172 172 LEU H H 172 8.262 8.262 8.854 -0.592 25645 2742 1 8 . 1 1 173 173 ALA N N 173 125.260 125.260 120.414 4.846 25645 2743 1 8 . 1 1 173 173 ALA CA C 173 51.903 51.903 51.465 0.438 25645 2744 1 8 . 1 1 173 173 ALA CB C 173 17.894 17.894 17.159 0.735 25645 2745 1 8 . 1 1 173 173 ALA H H 173 8.343 8.343 8.322 0.021 25645 2746 1 8 . 1 1 174 174 THR N N 174 112.925 112.925 117.052 -4.127 25645 2747 1 8 . 1 1 174 174 THR CA C 174 61.562 61.562 63.187 -1.625 25645 2748 1 8 . 1 1 174 174 THR CB C 174 69.156 69.156 67.606 1.550 25645 2749 1 8 . 1 1 174 174 THR H H 174 7.990 7.990 8.194 -0.204 25645 2750 1 8 . 1 1 175 175 GLN HA H 175 4.425 4.425 4.443 -0.018 25645 2751 1 8 . 1 1 175 175 GLN CA C 175 55.430 55.430 56.070 -0.640 25645 2752 1 8 . 1 1 175 175 GLN CB C 175 28.460 28.460 30.328 -1.869 25645 2753 1 9 . 1 1 80 80 GLN CA C 80 55.036 55.036 56.113 -1.077 25645 2754 1 9 . 1 1 80 80 GLN CB C 80 28.313 28.313 30.253 -1.940 25645 2755 1 9 . 1 1 81 81 LEU N N 81 125.126 125.126 120.546 4.580 25645 2756 1 9 . 1 1 81 81 LEU CB C 81 41.212 41.212 40.576 0.636 25645 2757 1 9 . 1 1 81 81 LEU H H 81 8.563 8.563 8.019 0.544 25645 2758 1 9 . 1 1 84 84 GLY CA C 84 44.806 44.806 47.438 -2.632 25645 2759 1 9 . 1 1 85 85 VAL N N 85 120.010 120.010 121.088 -1.078 25645 2760 1 9 . 1 1 85 85 VAL CA C 85 62.182 62.182 63.240 -1.058 25645 2761 1 9 . 1 1 85 85 VAL CB C 85 31.766 31.766 32.805 -1.039 25645 2762 1 9 . 1 1 85 85 VAL H H 85 7.975 7.975 7.963 0.012 25645 2763 1 9 . 1 1 86 86 SER CA C 86 57.128 57.128 58.039 -0.911 25645 2764 1 9 . 1 1 86 86 SER CB C 86 63.886 63.886 64.025 -0.139 25645 2765 1 9 . 1 1 87 87 GLU N N 87 124.764 124.764 122.953 1.811 25645 2766 1 9 . 1 1 87 87 GLU CA C 87 55.702 55.702 55.561 0.141 25645 2767 1 9 . 1 1 88 88 ILE CA C 88 59.909 59.909 59.618 0.291 25645 2768 1 9 . 1 1 88 88 ILE CB C 88 35.909 35.909 37.661 -1.752 25645 2769 1 9 . 1 1 89 89 ARG N N 89 126.800 126.800 121.186 5.614 25645 2770 1 9 . 1 1 89 89 ARG CA C 89 54.024 54.024 56.814 -2.790 25645 2771 1 9 . 1 1 89 89 ARG CB C 89 30.285 30.285 29.935 0.350 25645 2772 1 9 . 1 1 89 89 ARG H H 89 8.231 8.231 7.371 0.860 25645 2773 1 9 . 1 1 93 93 ASP HA H 93 4.745 4.745 4.255 0.490 25645 2774 1 9 . 1 1 93 93 ASP CA C 93 53.541 53.541 56.719 -3.178 25645 2775 1 9 . 1 1 93 93 ASP CB C 93 41.335 41.335 40.129 1.206 25645 2776 1 9 . 1 1 94 94 ARG N N 94 121.910 121.910 120.894 1.016 25645 2777 1 9 . 1 1 94 94 ARG HA H 94 4.823 4.823 4.732 0.091 25645 2778 1 9 . 1 1 94 94 ARG CA C 94 54.982 54.982 55.224 -0.242 25645 2779 1 9 . 1 1 94 94 ARG CB C 94 32.387 32.387 30.659 1.728 25645 2780 1 9 . 1 1 94 94 ARG H H 94 7.811 7.811 8.379 -0.568 25645 2781 1 9 . 1 1 95 95 TRP N N 95 129.134 129.134 127.117 2.017 25645 2782 1 9 . 1 1 95 95 TRP CA C 95 55.731 55.731 56.746 -1.015 25645 2783 1 9 . 1 1 95 95 TRP CB C 95 29.371 29.371 32.137 -2.766 25645 2784 1 9 . 1 1 95 95 TRP H H 95 9.067 9.067 9.150 -0.083 25645 2785 1 9 . 1 1 96 96 ARG HA H 96 5.022 5.022 4.955 0.067 25645 2786 1 9 . 1 1 96 96 ARG CA C 96 55.252 55.252 54.984 0.268 25645 2787 1 9 . 1 1 96 96 ARG CB C 96 32.455 32.455 31.961 0.494 25645 2788 1 9 . 1 1 97 97 VAL N N 97 119.924 119.924 126.843 -6.919 25645 2789 1 9 . 1 1 97 97 VAL HA H 97 4.474 4.474 4.497 -0.023 25645 2790 1 9 . 1 1 97 97 VAL CA C 97 58.208 58.208 59.950 -1.742 25645 2791 1 9 . 1 1 97 97 VAL CB C 97 34.114 34.114 36.025 -1.911 25645 2792 1 9 . 1 1 97 97 VAL H H 97 8.316 8.316 9.055 -0.739 25645 2793 1 9 . 1 1 98 98 SER N N 98 116.475 116.475 117.702 -1.227 25645 2794 1 9 . 1 1 98 98 SER CA C 98 56.851 56.851 55.795 1.056 25645 2795 1 9 . 1 1 98 98 SER CB C 98 66.291 66.291 66.159 0.133 25645 2796 1 9 . 1 1 99 99 LEU N N 99 122.870 122.870 124.034 -1.164 25645 2797 1 9 . 1 1 99 99 LEU CA C 99 53.560 53.560 54.085 -0.525 25645 2798 1 9 . 1 1 99 99 LEU CB C 99 44.394 44.394 43.127 1.267 25645 2799 1 9 . 1 1 99 99 LEU H H 99 9.161 9.161 8.956 0.205 25645 2800 1 9 . 1 1 100 100 ASP CA C 100 53.766 53.766 55.980 -2.214 25645 2801 1 9 . 1 1 100 100 ASP CB C 100 39.856 39.856 39.893 -0.037 25645 2802 1 9 . 1 1 101 101 VAL N N 101 121.612 121.612 120.121 1.491 25645 2803 1 9 . 1 1 101 101 VAL CA C 101 58.728 58.728 63.549 -4.821 25645 2804 1 9 . 1 1 101 101 VAL CB C 101 30.010 30.010 32.242 -2.232 25645 2805 1 9 . 1 1 101 101 VAL H H 101 8.484 8.484 7.537 0.947 25645 2806 1 9 . 1 1 102 102 ASN N N 102 118.997 118.997 119.652 -0.655 25645 2807 1 9 . 1 1 102 102 ASN CA C 102 56.518 56.518 55.384 1.134 25645 2808 1 9 . 1 1 102 102 ASN CB C 102 38.488 38.488 37.760 0.728 25645 2809 1 9 . 1 1 102 102 ASN H H 102 8.010 8.010 8.031 -0.021 25645 2810 1 9 . 1 1 103 103 HIS N N 103 114.123 114.123 117.966 -3.843 25645 2811 1 9 . 1 1 103 103 HIS HA H 103 4.290 4.290 4.121 0.169 25645 2812 1 9 . 1 1 103 103 HIS CA C 103 57.386 57.386 58.494 -1.108 25645 2813 1 9 . 1 1 103 103 HIS CB C 103 29.639 29.639 28.574 1.065 25645 2814 1 9 . 1 1 103 103 HIS H H 103 7.817 7.817 8.130 -0.313 25645 2815 1 9 . 1 1 104 104 PHE N N 104 117.452 117.452 114.771 2.681 25645 2816 1 9 . 1 1 104 104 PHE CA C 104 57.411 57.411 58.161 -0.750 25645 2817 1 9 . 1 1 104 104 PHE CB C 104 40.120 40.120 39.563 0.557 25645 2818 1 9 . 1 1 104 104 PHE H H 104 8.315 8.315 7.306 1.009 25645 2819 1 9 . 1 1 105 105 ALA N N 105 126.820 126.820 120.472 6.348 25645 2820 1 9 . 1 1 105 105 ALA CA C 105 49.383 49.383 49.986 -0.603 25645 2821 1 9 . 1 1 105 105 ALA CB C 105 17.252 17.252 19.972 -2.720 25645 2822 1 9 . 1 1 105 105 ALA H H 105 9.290 9.290 8.553 0.737 25645 2823 1 9 . 1 1 106 106 PRO CA C 106 65.904 65.904 64.100 1.804 25645 2824 1 9 . 1 1 106 106 PRO CB C 106 30.445 30.445 32.480 -2.035 25645 2825 1 9 . 1 1 107 107 ASP N N 107 110.250 110.250 120.008 -9.758 25645 2826 1 9 . 1 1 107 107 ASP CA C 107 53.849 53.849 55.326 -1.477 25645 2827 1 9 . 1 1 107 107 ASP CB C 107 38.993 38.993 41.049 -2.056 25645 2828 1 9 . 1 1 107 107 ASP H H 107 8.122 8.122 8.396 -0.274 25645 2829 1 9 . 1 1 108 108 GLU N N 108 120.254 120.254 121.386 -1.132 25645 2830 1 9 . 1 1 108 108 GLU CA C 108 55.584 55.584 55.789 -0.205 25645 2831 1 9 . 1 1 108 108 GLU CB C 108 28.838 28.838 28.543 0.295 25645 2832 1 9 . 1 1 108 108 GLU H H 108 8.164 8.164 8.410 -0.246 25645 2833 1 9 . 1 1 109 109 LEU N N 109 120.135 120.135 122.025 -1.890 25645 2834 1 9 . 1 1 109 109 LEU CA C 109 52.717 52.717 53.733 -1.016 25645 2835 1 9 . 1 1 109 109 LEU CB C 109 45.419 45.419 46.549 -1.130 25645 2836 1 9 . 1 1 109 109 LEU H H 109 7.113 7.113 7.678 -0.565 25645 2837 1 9 . 1 1 110 110 THR N N 110 115.508 115.508 119.527 -4.019 25645 2838 1 9 . 1 1 110 110 THR CA C 110 60.148 60.148 61.003 -0.855 25645 2839 1 9 . 1 1 110 110 THR CB C 110 71.203 71.203 70.845 0.358 25645 2840 1 9 . 1 1 111 111 VAL N N 111 124.271 124.271 126.961 -2.690 25645 2841 1 9 . 1 1 111 111 VAL HA H 111 4.824 4.824 4.275 0.549 25645 2842 1 9 . 1 1 111 111 VAL CA C 111 61.069 61.069 62.204 -1.135 25645 2843 1 9 . 1 1 111 111 VAL CB C 111 32.613 32.613 32.374 0.239 25645 2844 1 9 . 1 1 111 111 VAL H H 111 8.448 8.448 8.711 -0.263 25645 2845 1 9 . 1 1 112 112 LYS N N 112 127.684 127.684 128.941 -1.257 25645 2846 1 9 . 1 1 112 112 LYS CA C 112 54.406 54.406 54.867 -0.461 25645 2847 1 9 . 1 1 112 112 LYS CB C 112 35.342 35.342 34.600 0.742 25645 2848 1 9 . 1 1 112 112 LYS H H 112 9.060 9.060 8.172 0.888 25645 2849 1 9 . 1 1 113 113 THR N N 113 118.383 118.383 120.469 -2.086 25645 2850 1 9 . 1 1 113 113 THR CA C 113 60.487 60.487 62.026 -1.539 25645 2851 1 9 . 1 1 113 113 THR CB C 113 68.992 68.992 69.599 -0.607 25645 2852 1 9 . 1 1 113 113 THR H H 113 8.536 8.536 8.627 -0.091 25645 2853 1 9 . 1 1 114 114 LYS N N 114 125.354 125.354 127.606 -2.252 25645 2854 1 9 . 1 1 114 114 LYS CA C 114 55.481 55.481 54.881 0.600 25645 2855 1 9 . 1 1 114 114 LYS CB C 114 33.686 33.686 33.701 -0.015 25645 2856 1 9 . 1 1 114 114 LYS H H 114 8.650 8.650 8.997 -0.347 25645 2857 1 9 . 1 1 115 115 ASP N N 115 124.373 124.373 128.412 -4.039 25645 2858 1 9 . 1 1 115 115 ASP HA H 115 4.373 4.373 4.357 0.016 25645 2859 1 9 . 1 1 115 115 ASP CA C 115 55.485 55.485 55.498 -0.013 25645 2860 1 9 . 1 1 115 115 ASP CB C 115 39.176 39.176 39.991 -0.815 25645 2861 1 9 . 1 1 115 115 ASP H H 115 9.018 9.018 9.393 -0.375 25645 2862 1 9 . 1 1 116 116 GLY N N 116 105.265 105.265 105.611 -0.346 25645 2863 1 9 . 1 1 116 116 GLY CA C 116 45.343 45.343 45.041 0.302 25645 2864 1 9 . 1 1 116 116 GLY H H 116 8.677 8.677 8.145 0.532 25645 2865 1 9 . 1 1 117 117 VAL N N 117 120.174 120.174 122.370 -2.196 25645 2866 1 9 . 1 1 117 117 VAL HA H 117 5.008 5.008 4.674 0.334 25645 2867 1 9 . 1 1 117 117 VAL CA C 117 59.834 59.834 62.216 -2.382 25645 2868 1 9 . 1 1 117 117 VAL CB C 117 34.800 34.800 31.773 3.027 25645 2869 1 9 . 1 1 117 117 VAL H H 117 7.790 7.790 8.360 -0.570 25645 2870 1 9 . 1 1 118 118 VAL N N 118 125.349 125.349 128.758 -3.409 25645 2871 1 9 . 1 1 118 118 VAL HA H 118 4.676 4.676 4.314 0.362 25645 2872 1 9 . 1 1 118 118 VAL CA C 118 60.349 60.349 61.799 -1.450 25645 2873 1 9 . 1 1 118 118 VAL CB C 118 32.602 32.602 32.682 -0.080 25645 2874 1 9 . 1 1 119 119 GLU N N 119 128.922 128.922 128.298 0.624 25645 2875 1 9 . 1 1 119 119 GLU CA C 119 53.883 53.883 54.641 -0.758 25645 2876 1 9 . 1 1 119 119 GLU CB C 119 32.066 32.066 34.129 -2.063 25645 2877 1 9 . 1 1 119 119 GLU H H 119 9.417 9.417 8.202 1.215 25645 2878 1 9 . 1 1 120 120 ILE N N 120 129.583 129.583 124.920 4.663 25645 2879 1 9 . 1 1 120 120 ILE CA C 120 59.681 59.681 59.546 0.135 25645 2880 1 9 . 1 1 120 120 ILE CB C 120 40.042 40.042 40.374 -0.332 25645 2881 1 9 . 1 1 120 120 ILE H H 120 9.616 9.616 8.205 1.411 25645 2882 1 9 . 1 1 121 121 THR N N 121 121.955 121.955 125.093 -3.138 25645 2883 1 9 . 1 1 121 121 THR CA C 121 59.950 59.950 61.700 -1.750 25645 2884 1 9 . 1 1 121 121 THR CB C 121 70.943 70.943 69.181 1.762 25645 2885 1 9 . 1 1 121 121 THR H H 121 8.686 8.686 9.068 -0.382 25645 2886 1 9 . 1 1 122 122 GLY N N 122 111.809 111.809 112.715 -0.906 25645 2887 1 9 . 1 1 122 122 GLY CA C 122 43.346 43.346 45.212 -1.866 25645 2888 1 9 . 1 1 122 122 GLY H H 122 6.961 6.961 8.099 -1.138 25645 2889 1 9 . 1 1 123 123 LYS N N 123 122.817 122.817 125.579 -2.762 25645 2890 1 9 . 1 1 123 123 LYS CA C 123 56.015 56.015 54.279 1.736 25645 2891 1 9 . 1 1 123 123 LYS CB C 123 33.748 33.748 35.012 -1.264 25645 2892 1 9 . 1 1 123 123 LYS H H 123 8.041 8.041 7.808 0.233 25645 2893 1 9 . 1 1 124 124 HIS N N 124 122.330 122.330 124.558 -2.228 25645 2894 1 9 . 1 1 124 124 HIS CA C 124 53.525 53.525 56.517 -2.991 25645 2895 1 9 . 1 1 124 124 HIS CB C 124 32.205 32.205 32.895 -0.690 25645 2896 1 9 . 1 1 124 124 HIS H H 124 9.090 9.090 8.904 0.186 25645 2897 1 9 . 1 1 125 125 GLU N N 125 122.817 122.817 121.539 1.278 25645 2898 1 9 . 1 1 125 125 GLU HA H 125 4.418 4.418 4.122 0.296 25645 2899 1 9 . 1 1 125 125 GLU CA C 125 54.377 54.377 56.749 -2.372 25645 2900 1 9 . 1 1 125 125 GLU CB C 125 29.304 29.304 30.363 -1.059 25645 2901 1 9 . 1 1 126 126 GLU N N 126 118.410 118.410 121.422 -3.012 25645 2902 1 9 . 1 1 126 126 GLU HA H 126 4.155 4.155 4.157 -0.002 25645 2903 1 9 . 1 1 126 126 GLU CA C 126 57.815 57.815 56.791 1.024 25645 2904 1 9 . 1 1 126 126 GLU CB C 126 29.373 29.373 29.032 0.341 25645 2905 1 9 . 1 1 126 126 GLU H H 126 8.800 8.800 8.651 0.149 25645 2906 1 9 . 1 1 127 127 ARG N N 127 124.867 124.867 125.837 -0.970 25645 2907 1 9 . 1 1 127 127 ARG HA H 127 4.880 4.880 4.473 0.407 25645 2908 1 9 . 1 1 127 127 ARG CA C 127 53.544 53.544 56.176 -2.632 25645 2909 1 9 . 1 1 127 127 ARG CB C 127 32.379 32.379 31.709 0.671 25645 2910 1 9 . 1 1 127 127 ARG H H 127 8.921 8.921 7.768 1.153 25645 2911 1 9 . 1 1 128 128 GLN N N 128 122.883 122.883 124.434 -1.551 25645 2912 1 9 . 1 1 128 128 GLN HA H 128 4.503 4.503 4.691 -0.188 25645 2913 1 9 . 1 1 128 128 GLN CA C 128 55.175 55.175 55.235 -0.060 25645 2914 1 9 . 1 1 128 128 GLN CB C 128 28.933 28.933 29.862 -0.929 25645 2915 1 9 . 1 1 128 128 GLN H H 128 8.758 8.758 8.679 0.079 25645 2916 1 9 . 1 1 129 129 ASP N N 129 128.171 128.171 126.895 1.276 25645 2917 1 9 . 1 1 129 129 ASP CA C 129 51.655 51.655 52.931 -1.276 25645 2918 1 9 . 1 1 129 129 ASP CB C 129 41.155 41.155 43.456 -2.301 25645 2919 1 9 . 1 1 129 129 ASP H H 129 8.892 8.892 8.973 -0.081 25645 2920 1 9 . 1 1 130 130 GLU N N 130 114.822 114.822 120.039 -5.217 25645 2921 1 9 . 1 1 130 130 GLU HA H 130 3.947 3.947 3.924 0.023 25645 2922 1 9 . 1 1 130 130 GLU CA C 130 58.201 58.201 58.042 0.159 25645 2923 1 9 . 1 1 130 130 GLU CB C 130 28.013 28.013 28.712 -0.699 25645 2924 1 9 . 1 1 130 130 GLU H H 130 8.799 8.799 8.916 -0.117 25645 2925 1 9 . 1 1 131 131 HIS N N 131 115.145 115.145 113.715 1.430 25645 2926 1 9 . 1 1 131 131 HIS HA H 131 4.980 4.980 4.847 0.133 25645 2927 1 9 . 1 1 131 131 HIS CA C 131 55.377 55.377 55.494 -0.117 25645 2928 1 9 . 1 1 131 131 HIS CB C 131 32.300 32.300 30.214 2.086 25645 2929 1 9 . 1 1 131 131 HIS H H 131 7.794 7.794 7.909 -0.115 25645 2930 1 9 . 1 1 132 132 GLY N N 132 108.839 108.839 107.747 1.092 25645 2931 1 9 . 1 1 132 132 GLY CA C 132 45.750 45.750 44.916 0.834 25645 2932 1 9 . 1 1 132 132 GLY H H 132 7.516 7.516 8.042 -0.526 25645 2933 1 9 . 1 1 133 133 TYR N N 133 122.032 122.032 119.213 2.819 25645 2934 1 9 . 1 1 133 133 TYR CA C 133 56.072 56.072 55.961 0.111 25645 2935 1 9 . 1 1 133 133 TYR CB C 133 41.340 41.340 40.627 0.713 25645 2936 1 9 . 1 1 133 133 TYR H H 133 8.355 8.355 8.098 0.257 25645 2937 1 9 . 1 1 134 134 ILE N N 134 118.356 118.356 123.548 -5.192 25645 2938 1 9 . 1 1 134 134 ILE CA C 134 57.630 57.630 60.801 -3.171 25645 2939 1 9 . 1 1 134 134 ILE CB C 134 41.527 41.527 40.623 0.904 25645 2940 1 9 . 1 1 134 134 ILE H H 134 8.949 8.949 9.095 -0.146 25645 2941 1 9 . 1 1 135 135 SER N N 135 123.022 123.022 124.615 -1.593 25645 2942 1 9 . 1 1 135 135 SER CA C 135 56.890 56.890 57.038 -0.148 25645 2943 1 9 . 1 1 135 135 SER CB C 135 65.803 65.803 64.700 1.103 25645 2944 1 9 . 1 1 136 136 ARG N N 136 114.983 114.983 120.738 -5.755 25645 2945 1 9 . 1 1 136 136 ARG CA C 136 55.300 55.300 54.881 0.419 25645 2946 1 9 . 1 1 136 136 ARG CB C 136 36.804 36.804 32.731 4.073 25645 2947 1 9 . 1 1 136 136 ARG H H 136 5.916 5.916 8.505 -2.589 25645 2948 1 9 . 1 1 137 137 CYS N N 137 117.966 117.966 116.759 1.207 25645 2949 1 9 . 1 1 137 137 CYS CA C 137 55.918 55.918 57.340 -1.423 25645 2950 1 9 . 1 1 137 137 CYS CB C 137 41.577 41.577 29.548 12.029 25645 2951 1 9 . 1 1 137 137 CYS H H 137 9.616 9.616 8.353 1.263 25645 2952 1 9 . 1 1 138 138 PHE N N 138 120.959 120.959 126.099 -5.140 25645 2953 1 9 . 1 1 138 138 PHE CA C 138 57.921 57.921 57.311 0.610 25645 2954 1 9 . 1 1 138 138 PHE CB C 138 40.796 40.796 40.650 0.146 25645 2955 1 9 . 1 1 138 138 PHE H H 138 9.306 9.306 9.721 -0.415 25645 2956 1 9 . 1 1 139 139 THR N N 139 115.870 115.870 120.347 -4.477 25645 2957 1 9 . 1 1 139 139 THR CA C 139 62.202 62.202 61.506 0.696 25645 2958 1 9 . 1 1 139 139 THR CB C 139 71.765 71.765 69.152 2.613 25645 2959 1 9 . 1 1 139 139 THR H H 139 8.336 8.336 8.305 0.031 25645 2960 1 9 . 1 1 140 140 ARG N N 140 129.223 129.223 127.712 1.511 25645 2961 1 9 . 1 1 140 140 ARG CA C 140 53.286 53.286 55.124 -1.838 25645 2962 1 9 . 1 1 140 140 ARG CB C 140 32.505 32.505 32.925 -0.420 25645 2963 1 9 . 1 1 140 140 ARG H H 140 9.858 9.858 8.139 1.719 25645 2964 1 9 . 1 1 141 141 LYS N N 141 123.968 123.968 122.861 1.107 25645 2965 1 9 . 1 1 141 141 LYS HA H 141 5.677 5.677 4.912 0.765 25645 2966 1 9 . 1 1 141 141 LYS CA C 141 53.931 53.931 56.283 -2.352 25645 2967 1 9 . 1 1 141 141 LYS CB C 141 35.675 35.675 35.226 0.449 25645 2968 1 9 . 1 1 141 141 LYS H H 141 8.788 8.788 8.706 0.082 25645 2969 1 9 . 1 1 142 142 TYR N N 142 121.120 121.120 127.070 -5.950 25645 2970 1 9 . 1 1 142 142 TYR CA C 142 55.983 55.983 55.445 0.538 25645 2971 1 9 . 1 1 142 142 TYR CB C 142 41.189 41.189 39.280 1.909 25645 2972 1 9 . 1 1 142 142 TYR H H 142 9.335 9.335 9.712 -0.377 25645 2973 1 9 . 1 1 143 143 THR N N 143 119.260 119.260 122.060 -2.800 25645 2974 1 9 . 1 1 143 143 THR CA C 143 62.091 62.091 62.831 -0.740 25645 2975 1 9 . 1 1 143 143 THR CB C 143 68.728 68.728 68.668 0.060 25645 2976 1 9 . 1 1 143 143 THR H H 143 8.907 8.907 8.861 0.046 25645 2977 1 9 . 1 1 144 144 LEU N N 144 128.655 128.655 129.254 -0.599 25645 2978 1 9 . 1 1 144 144 LEU CA C 144 52.057 52.057 51.523 0.534 25645 2979 1 9 . 1 1 144 144 LEU CB C 144 40.611 40.611 42.318 -1.707 25645 2980 1 9 . 1 1 144 144 LEU H H 144 8.190 8.190 8.297 -0.107 25645 2981 1 9 . 1 1 146 146 PRO CA C 146 62.697 62.697 62.640 0.057 25645 2982 1 9 . 1 1 146 146 PRO CB C 146 30.337 30.337 29.660 0.677 25645 2983 1 9 . 1 1 147 147 GLY N N 147 109.243 109.243 107.702 1.541 25645 2984 1 9 . 1 1 147 147 GLY CA C 147 44.659 44.659 45.748 -1.089 25645 2985 1 9 . 1 1 147 147 GLY H H 147 8.473 8.473 8.042 0.431 25645 2986 1 9 . 1 1 148 148 VAL N N 148 120.323 120.323 124.245 -3.922 25645 2987 1 9 . 1 1 148 148 VAL HA H 148 3.867 3.867 4.149 -0.282 25645 2988 1 9 . 1 1 148 148 VAL CA C 148 62.132 62.132 62.267 -0.135 25645 2989 1 9 . 1 1 148 148 VAL CB C 148 30.798 30.798 32.576 -1.778 25645 2990 1 9 . 1 1 148 148 VAL H H 148 7.020 7.020 7.495 -0.475 25645 2991 1 9 . 1 1 149 149 ASP N N 149 130.411 130.411 128.269 2.142 25645 2992 1 9 . 1 1 149 149 ASP CA C 149 49.931 49.931 51.765 -1.834 25645 2993 1 9 . 1 1 149 149 ASP CB C 149 40.925 40.925 43.093 -2.168 25645 2994 1 9 . 1 1 149 149 ASP H H 149 8.798 8.798 8.463 0.335 25645 2995 1 9 . 1 1 150 150 PRO HA H 150 4.039 4.039 4.470 -0.431 25645 2996 1 9 . 1 1 150 150 PRO CA C 150 64.379 64.379 64.685 -0.306 25645 2997 1 9 . 1 1 150 150 PRO CB C 150 31.158 31.158 32.252 -1.094 25645 2998 1 9 . 1 1 151 151 THR N N 151 108.501 108.501 112.291 -3.790 25645 2999 1 9 . 1 1 151 151 THR CA C 151 63.540 63.540 64.037 -0.497 25645 3000 1 9 . 1 1 151 151 THR CB C 151 68.784 68.784 69.251 -0.467 25645 3001 1 9 . 1 1 151 151 THR H H 151 8.295 8.295 8.228 0.067 25645 3002 1 9 . 1 1 152 152 GLN N N 152 119.655 119.655 120.875 -1.220 25645 3003 1 9 . 1 1 152 152 GLN HA H 152 4.433 4.433 4.406 0.027 25645 3004 1 9 . 1 1 152 152 GLN CA C 152 54.247 54.247 55.676 -1.429 25645 3005 1 9 . 1 1 152 152 GLN CB C 152 28.118 28.118 28.956 -0.838 25645 3006 1 9 . 1 1 153 153 VAL N N 153 120.424 120.424 120.016 0.408 25645 3007 1 9 . 1 1 153 153 VAL HA H 153 4.584 4.584 4.230 0.354 25645 3008 1 9 . 1 1 153 153 VAL CA C 153 62.129 62.129 61.497 0.632 25645 3009 1 9 . 1 1 153 153 VAL CB C 153 30.632 30.632 31.445 -0.813 25645 3010 1 9 . 1 1 153 153 VAL H H 153 6.881 6.881 7.806 -0.925 25645 3011 1 9 . 1 1 154 154 SER N N 154 124.948 124.948 124.108 0.840 25645 3012 1 9 . 1 1 154 154 SER CA C 154 56.292 56.292 57.340 -1.048 25645 3013 1 9 . 1 1 154 154 SER CB C 154 66.028 66.028 64.265 1.763 25645 3014 1 9 . 1 1 154 154 SER H H 154 9.507 9.507 8.380 1.127 25645 3015 1 9 . 1 1 155 155 SER N N 155 114.211 114.211 115.896 -1.685 25645 3016 1 9 . 1 1 155 155 SER CA C 155 56.407 56.407 57.356 -0.949 25645 3017 1 9 . 1 1 155 155 SER CB C 155 66.880 66.880 66.430 0.450 25645 3018 1 9 . 1 1 155 155 SER H H 155 8.390 8.390 8.202 0.188 25645 3019 1 9 . 1 1 156 156 SER N N 156 114.400 114.400 119.996 -5.596 25645 3020 1 9 . 1 1 156 156 SER CA C 156 57.035 57.035 57.427 -0.392 25645 3021 1 9 . 1 1 156 156 SER CB C 156 65.136 65.136 64.927 0.209 25645 3022 1 9 . 1 1 156 156 SER H H 156 8.679 8.679 9.036 -0.357 25645 3023 1 9 . 1 1 157 157 LEU N N 157 127.132 127.132 125.741 1.391 25645 3024 1 9 . 1 1 157 157 LEU CA C 157 52.943 52.943 53.782 -0.840 25645 3025 1 9 . 1 1 157 157 LEU CB C 157 43.606 43.606 45.092 -1.486 25645 3026 1 9 . 1 1 157 157 LEU H H 157 8.623 8.623 8.524 0.099 25645 3027 1 9 . 1 1 158 158 SER N N 158 124.449 124.449 122.010 2.439 25645 3028 1 9 . 1 1 158 158 SER CA C 158 55.551 55.551 54.370 1.181 25645 3029 1 9 . 1 1 158 158 SER CB C 158 63.266 63.266 64.892 -1.626 25645 3030 1 9 . 1 1 158 158 SER H H 158 8.926 8.926 8.244 0.682 25645 3031 1 9 . 1 1 159 159 PRO CA C 159 64.391 64.391 64.812 -0.421 25645 3032 1 9 . 1 1 159 159 PRO CB C 159 30.274 30.274 31.731 -1.457 25645 3033 1 9 . 1 1 160 160 GLU N N 160 113.862 113.862 116.380 -2.518 25645 3034 1 9 . 1 1 160 160 GLU HA H 160 4.315 4.315 4.195 0.120 25645 3035 1 9 . 1 1 160 160 GLU CA C 160 56.071 56.071 55.980 0.091 25645 3036 1 9 . 1 1 160 160 GLU CB C 160 28.031 28.031 28.387 -0.356 25645 3037 1 9 . 1 1 160 160 GLU H H 160 7.884 7.884 8.001 -0.117 25645 3038 1 9 . 1 1 161 161 GLY N N 161 108.198 108.198 108.051 0.147 25645 3039 1 9 . 1 1 161 161 GLY CA C 161 45.836 45.836 45.563 0.273 25645 3040 1 9 . 1 1 161 161 GLY H H 161 8.093 8.093 8.120 -0.027 25645 3041 1 9 . 1 1 162 162 THR N N 162 113.714 113.714 113.126 0.588 25645 3042 1 9 . 1 1 162 162 THR CA C 162 61.051 61.051 60.472 0.579 25645 3043 1 9 . 1 1 162 162 THR CB C 162 68.924 68.924 68.910 0.014 25645 3044 1 9 . 1 1 162 162 THR H H 162 7.436 7.436 7.431 0.004 25645 3045 1 9 . 1 1 163 163 LEU N N 163 106.660 106.660 130.790 -24.130 25645 3046 1 9 . 1 1 163 163 LEU CA C 163 53.400 53.400 52.671 0.729 25645 3047 1 9 . 1 1 163 163 LEU CB C 163 43.882 43.882 42.094 1.788 25645 3048 1 9 . 1 1 163 163 LEU H H 163 9.571 9.571 8.104 1.467 25645 3049 1 9 . 1 1 164 164 THR N N 164 123.931 123.931 121.269 2.662 25645 3050 1 9 . 1 1 164 164 THR CA C 164 61.246 61.246 60.578 0.668 25645 3051 1 9 . 1 1 164 164 THR CB C 164 70.034 70.034 69.209 0.825 25645 3052 1 9 . 1 1 164 164 THR H H 164 9.165 9.165 9.084 0.081 25645 3053 1 9 . 1 1 165 165 VAL N N 165 128.872 128.872 122.183 6.689 25645 3054 1 9 . 1 1 165 165 VAL HA H 165 4.887 4.887 4.972 -0.085 25645 3055 1 9 . 1 1 165 165 VAL CA C 165 60.037 60.037 60.000 0.037 25645 3056 1 9 . 1 1 165 165 VAL CB C 165 32.397 32.397 33.978 -1.581 25645 3057 1 9 . 1 1 165 165 VAL H H 165 8.892 8.892 9.223 -0.331 25645 3058 1 9 . 1 1 166 166 GLU N N 166 122.017 122.017 128.235 -6.218 25645 3059 1 9 . 1 1 166 166 GLU HA H 166 5.976 5.976 5.645 0.331 25645 3060 1 9 . 1 1 166 166 GLU CA C 166 53.604 53.604 54.035 -0.431 25645 3061 1 9 . 1 1 166 166 GLU CB C 166 34.427 34.427 32.042 2.385 25645 3062 1 9 . 1 1 166 166 GLU H H 166 8.973 8.973 8.465 0.508 25645 3063 1 9 . 1 1 167 167 ALA N N 167 121.099 121.099 124.574 -3.475 25645 3064 1 9 . 1 1 167 167 ALA CA C 167 49.696 49.696 50.718 -1.022 25645 3065 1 9 . 1 1 167 167 ALA CB C 167 21.689 21.689 21.912 -0.223 25645 3066 1 9 . 1 1 167 167 ALA H H 167 9.464 9.464 8.958 0.506 25645 3067 1 9 . 1 1 168 168 PRO HA H 168 4.644 4.644 5.404 -0.760 25645 3068 1 9 . 1 1 168 168 PRO CA C 168 62.139 62.139 62.247 -0.108 25645 3069 1 9 . 1 1 168 168 PRO CB C 168 30.564 30.564 31.280 -0.716 25645 3070 1 9 . 1 1 169 169 MET N N 169 120.747 120.747 122.749 -2.002 25645 3071 1 9 . 1 1 169 169 MET CA C 169 51.702 51.702 52.192 -0.490 25645 3072 1 9 . 1 1 169 169 MET CB C 169 31.123 31.123 32.659 -1.536 25645 3073 1 9 . 1 1 169 169 MET H H 169 7.726 7.726 7.884 -0.158 25645 3074 1 9 . 1 1 170 170 PRO HA H 170 4.401 4.401 4.309 0.092 25645 3075 1 9 . 1 1 170 170 PRO CA C 170 62.148 62.148 62.645 -0.497 25645 3076 1 9 . 1 1 170 170 PRO CB C 170 30.765 30.765 30.686 0.079 25645 3077 1 9 . 1 1 171 171 LYS N N 171 123.033 123.033 126.501 -3.468 25645 3078 1 9 . 1 1 171 171 LYS HA H 171 4.300 4.300 4.042 0.258 25645 3079 1 9 . 1 1 171 171 LYS CA C 171 55.621 55.621 55.899 -0.278 25645 3080 1 9 . 1 1 171 171 LYS CB C 171 31.856 31.856 31.148 0.708 25645 3081 1 9 . 1 1 171 171 LYS H H 171 8.296 8.296 8.261 0.035 25645 3082 1 9 . 1 1 172 172 LEU N N 172 124.281 124.281 125.930 -1.649 25645 3083 1 9 . 1 1 172 172 LEU CA C 172 54.400 54.400 54.848 -0.448 25645 3084 1 9 . 1 1 172 172 LEU CB C 172 41.389 41.389 41.523 -0.134 25645 3085 1 9 . 1 1 172 172 LEU H H 172 8.262 8.262 8.889 -0.627 25645 3086 1 9 . 1 1 173 173 ALA N N 173 125.260 125.260 129.033 -3.773 25645 3087 1 9 . 1 1 173 173 ALA CA C 173 51.903 51.903 52.739 -0.836 25645 3088 1 9 . 1 1 173 173 ALA CB C 173 17.894 17.894 16.995 0.899 25645 3089 1 9 . 1 1 173 173 ALA H H 173 8.343 8.343 8.758 -0.415 25645 3090 1 9 . 1 1 174 174 THR N N 174 112.925 112.925 114.435 -1.510 25645 3091 1 9 . 1 1 174 174 THR CA C 174 61.562 61.562 60.734 0.828 25645 3092 1 9 . 1 1 174 174 THR CB C 174 69.156 69.156 70.434 -1.278 25645 3093 1 9 . 1 1 174 174 THR H H 174 7.990 7.990 8.008 -0.018 25645 3094 1 9 . 1 1 175 175 GLN HA H 175 4.425 4.425 4.152 0.273 25645 3095 1 9 . 1 1 175 175 GLN CA C 175 55.430 55.430 56.524 -1.094 25645 3096 1 9 . 1 1 175 175 GLN CB C 175 28.460 28.460 27.629 0.831 25645 3097 1 10 . 1 1 80 80 GLN CA C 80 55.036 55.036 56.698 -1.662 25645 3098 1 10 . 1 1 80 80 GLN CB C 80 28.313 28.313 28.492 -0.179 25645 3099 1 10 . 1 1 81 81 LEU N N 81 125.126 125.126 123.348 1.778 25645 3100 1 10 . 1 1 81 81 LEU CB C 81 41.212 41.212 39.317 1.895 25645 3101 1 10 . 1 1 81 81 LEU H H 81 8.563 8.563 8.537 0.026 25645 3102 1 10 . 1 1 84 84 GLY CA C 84 44.806 44.806 45.257 -0.451 25645 3103 1 10 . 1 1 85 85 VAL N N 85 120.010 120.010 120.216 -0.206 25645 3104 1 10 . 1 1 85 85 VAL CA C 85 62.182 62.182 63.995 -1.813 25645 3105 1 10 . 1 1 85 85 VAL CB C 85 31.766 31.766 31.737 0.029 25645 3106 1 10 . 1 1 85 85 VAL H H 85 7.975 7.975 7.903 0.072 25645 3107 1 10 . 1 1 86 86 SER CA C 86 57.128 57.128 61.041 -3.913 25645 3108 1 10 . 1 1 86 86 SER CB C 86 63.886 63.886 62.857 1.029 25645 3109 1 10 . 1 1 87 87 GLU N N 87 124.764 124.764 117.235 7.529 25645 3110 1 10 . 1 1 87 87 GLU CA C 87 55.702 55.702 58.735 -3.033 25645 3111 1 10 . 1 1 88 88 ILE CA C 88 59.909 59.909 61.983 -2.074 25645 3112 1 10 . 1 1 88 88 ILE CB C 88 35.909 35.909 38.051 -2.142 25645 3113 1 10 . 1 1 89 89 ARG N N 89 126.800 126.800 126.755 0.045 25645 3114 1 10 . 1 1 89 89 ARG CA C 89 54.024 54.024 55.700 -1.676 25645 3115 1 10 . 1 1 89 89 ARG CB C 89 30.285 30.285 31.191 -0.906 25645 3116 1 10 . 1 1 89 89 ARG H H 89 8.231 8.231 8.469 -0.238 25645 3117 1 10 . 1 1 93 93 ASP HA H 93 4.745 4.745 4.770 -0.025 25645 3118 1 10 . 1 1 93 93 ASP CA C 93 53.541 53.541 56.398 -2.857 25645 3119 1 10 . 1 1 93 93 ASP CB C 93 41.335 41.335 41.894 -0.559 25645 3120 1 10 . 1 1 94 94 ARG N N 94 121.910 121.910 120.033 1.877 25645 3121 1 10 . 1 1 94 94 ARG HA H 94 4.823 4.823 4.762 0.061 25645 3122 1 10 . 1 1 94 94 ARG CA C 94 54.982 54.982 54.877 0.105 25645 3123 1 10 . 1 1 94 94 ARG CB C 94 32.387 32.387 30.113 2.274 25645 3124 1 10 . 1 1 94 94 ARG H H 94 7.811 7.811 8.259 -0.448 25645 3125 1 10 . 1 1 95 95 TRP N N 95 129.134 129.134 125.807 3.327 25645 3126 1 10 . 1 1 95 95 TRP CA C 95 55.731 55.731 54.818 0.913 25645 3127 1 10 . 1 1 95 95 TRP CB C 95 29.371 29.371 30.698 -1.327 25645 3128 1 10 . 1 1 95 95 TRP H H 95 9.067 9.067 9.231 -0.164 25645 3129 1 10 . 1 1 96 96 ARG HA H 96 5.022 5.022 4.699 0.323 25645 3130 1 10 . 1 1 96 96 ARG CA C 96 55.252 55.252 55.013 0.239 25645 3131 1 10 . 1 1 96 96 ARG CB C 96 32.455 32.455 32.087 0.368 25645 3132 1 10 . 1 1 97 97 VAL N N 97 119.924 119.924 126.242 -6.318 25645 3133 1 10 . 1 1 97 97 VAL HA H 97 4.474 4.474 4.279 0.195 25645 3134 1 10 . 1 1 97 97 VAL CA C 97 58.208 58.208 59.516 -1.308 25645 3135 1 10 . 1 1 97 97 VAL CB C 97 34.114 34.114 35.942 -1.828 25645 3136 1 10 . 1 1 97 97 VAL H H 97 8.316 8.316 8.485 -0.169 25645 3137 1 10 . 1 1 98 98 SER N N 98 116.475 116.475 117.322 -0.847 25645 3138 1 10 . 1 1 98 98 SER CA C 98 56.851 56.851 56.318 0.533 25645 3139 1 10 . 1 1 98 98 SER CB C 98 66.291 66.291 65.717 0.574 25645 3140 1 10 . 1 1 99 99 LEU N N 99 122.870 122.870 124.624 -1.754 25645 3141 1 10 . 1 1 99 99 LEU CA C 99 53.560 53.560 54.370 -0.810 25645 3142 1 10 . 1 1 99 99 LEU CB C 99 44.394 44.394 42.833 1.561 25645 3143 1 10 . 1 1 99 99 LEU H H 99 9.161 9.161 9.042 0.119 25645 3144 1 10 . 1 1 100 100 ASP CA C 100 53.766 53.766 56.033 -2.267 25645 3145 1 10 . 1 1 100 100 ASP CB C 100 39.856 39.856 40.341 -0.485 25645 3146 1 10 . 1 1 101 101 VAL N N 101 121.612 121.612 121.190 0.422 25645 3147 1 10 . 1 1 101 101 VAL CA C 101 58.728 58.728 63.444 -4.716 25645 3148 1 10 . 1 1 101 101 VAL CB C 101 30.010 30.010 33.273 -3.263 25645 3149 1 10 . 1 1 101 101 VAL H H 101 8.484 8.484 7.927 0.557 25645 3150 1 10 . 1 1 102 102 ASN N N 102 118.997 118.997 119.151 -0.154 25645 3151 1 10 . 1 1 102 102 ASN CA C 102 56.518 56.518 55.220 1.298 25645 3152 1 10 . 1 1 102 102 ASN CB C 102 38.488 38.488 37.761 0.727 25645 3153 1 10 . 1 1 102 102 ASN H H 102 8.010 8.010 8.483 -0.473 25645 3154 1 10 . 1 1 103 103 HIS N N 103 114.123 114.123 119.780 -5.657 25645 3155 1 10 . 1 1 103 103 HIS HA H 103 4.290 4.290 4.328 -0.038 25645 3156 1 10 . 1 1 103 103 HIS CA C 103 57.386 57.386 57.503 -0.117 25645 3157 1 10 . 1 1 103 103 HIS CB C 103 29.639 29.639 29.371 0.268 25645 3158 1 10 . 1 1 103 103 HIS H H 103 7.817 7.817 8.351 -0.534 25645 3159 1 10 . 1 1 104 104 PHE N N 104 117.452 117.452 117.496 -0.044 25645 3160 1 10 . 1 1 104 104 PHE CA C 104 57.411 57.411 58.581 -1.170 25645 3161 1 10 . 1 1 104 104 PHE CB C 104 40.120 40.120 40.268 -0.148 25645 3162 1 10 . 1 1 104 104 PHE H H 104 8.315 8.315 7.514 0.801 25645 3163 1 10 . 1 1 105 105 ALA N N 105 126.820 126.820 121.622 5.198 25645 3164 1 10 . 1 1 105 105 ALA CA C 105 49.383 49.383 49.847 -0.464 25645 3165 1 10 . 1 1 105 105 ALA CB C 105 17.252 17.252 19.143 -1.891 25645 3166 1 10 . 1 1 105 105 ALA H H 105 9.290 9.290 8.469 0.821 25645 3167 1 10 . 1 1 106 106 PRO CA C 106 65.904 65.904 64.161 1.743 25645 3168 1 10 . 1 1 106 106 PRO CB C 106 30.445 30.445 32.409 -1.964 25645 3169 1 10 . 1 1 107 107 ASP N N 107 110.250 110.250 119.273 -9.023 25645 3170 1 10 . 1 1 107 107 ASP CA C 107 53.849 53.849 55.727 -1.878 25645 3171 1 10 . 1 1 107 107 ASP CB C 107 38.993 38.993 41.041 -2.048 25645 3172 1 10 . 1 1 107 107 ASP H H 107 8.122 8.122 8.480 -0.358 25645 3173 1 10 . 1 1 108 108 GLU N N 108 120.254 120.254 120.286 -0.032 25645 3174 1 10 . 1 1 108 108 GLU CA C 108 55.584 55.584 56.098 -0.514 25645 3175 1 10 . 1 1 108 108 GLU CB C 108 28.838 28.838 28.049 0.789 25645 3176 1 10 . 1 1 108 108 GLU H H 108 8.164 8.164 8.530 -0.366 25645 3177 1 10 . 1 1 109 109 LEU N N 109 120.135 120.135 121.931 -1.796 25645 3178 1 10 . 1 1 109 109 LEU CA C 109 52.717 52.717 53.950 -1.233 25645 3179 1 10 . 1 1 109 109 LEU CB C 109 45.419 45.419 45.624 -0.205 25645 3180 1 10 . 1 1 109 109 LEU H H 109 7.113 7.113 7.644 -0.531 25645 3181 1 10 . 1 1 110 110 THR N N 110 115.508 115.508 122.862 -7.354 25645 3182 1 10 . 1 1 110 110 THR CA C 110 60.148 60.148 61.281 -1.133 25645 3183 1 10 . 1 1 110 110 THR CB C 110 71.203 71.203 70.758 0.445 25645 3184 1 10 . 1 1 111 111 VAL N N 111 124.271 124.271 127.357 -3.086 25645 3185 1 10 . 1 1 111 111 VAL HA H 111 4.824 4.824 4.236 0.588 25645 3186 1 10 . 1 1 111 111 VAL CA C 111 61.069 61.069 62.264 -1.195 25645 3187 1 10 . 1 1 111 111 VAL CB C 111 32.613 32.613 32.331 0.282 25645 3188 1 10 . 1 1 111 111 VAL H H 111 8.448 8.448 8.823 -0.375 25645 3189 1 10 . 1 1 112 112 LYS N N 112 127.684 127.684 129.066 -1.382 25645 3190 1 10 . 1 1 112 112 LYS CA C 112 54.406 54.406 54.977 -0.571 25645 3191 1 10 . 1 1 112 112 LYS CB C 112 35.342 35.342 34.482 0.860 25645 3192 1 10 . 1 1 112 112 LYS H H 112 9.060 9.060 8.113 0.947 25645 3193 1 10 . 1 1 113 113 THR N N 113 118.383 118.383 121.658 -3.275 25645 3194 1 10 . 1 1 113 113 THR CA C 113 60.487 60.487 62.291 -1.804 25645 3195 1 10 . 1 1 113 113 THR CB C 113 68.992 68.992 69.633 -0.641 25645 3196 1 10 . 1 1 113 113 THR H H 113 8.536 8.536 8.547 -0.011 25645 3197 1 10 . 1 1 114 114 LYS N N 114 125.354 125.354 125.558 -0.204 25645 3198 1 10 . 1 1 114 114 LYS CA C 114 55.481 55.481 54.633 0.848 25645 3199 1 10 . 1 1 114 114 LYS CB C 114 33.686 33.686 34.601 -0.915 25645 3200 1 10 . 1 1 114 114 LYS H H 114 8.650 8.650 8.338 0.312 25645 3201 1 10 . 1 1 115 115 ASP N N 115 124.373 124.373 120.670 3.703 25645 3202 1 10 . 1 1 115 115 ASP HA H 115 4.373 4.373 4.440 -0.067 25645 3203 1 10 . 1 1 115 115 ASP CA C 115 55.485 55.485 55.324 0.161 25645 3204 1 10 . 1 1 115 115 ASP CB C 115 39.176 39.176 39.238 -0.062 25645 3205 1 10 . 1 1 115 115 ASP H H 115 9.018 9.018 8.587 0.431 25645 3206 1 10 . 1 1 116 116 GLY N N 116 105.265 105.265 110.407 -5.142 25645 3207 1 10 . 1 1 116 116 GLY CA C 116 45.343 45.343 45.071 0.272 25645 3208 1 10 . 1 1 116 116 GLY H H 116 8.677 8.677 8.761 -0.084 25645 3209 1 10 . 1 1 117 117 VAL N N 117 120.174 120.174 120.364 -0.190 25645 3210 1 10 . 1 1 117 117 VAL HA H 117 5.008 5.008 4.546 0.462 25645 3211 1 10 . 1 1 117 117 VAL CA C 117 59.834 59.834 61.168 -1.334 25645 3212 1 10 . 1 1 117 117 VAL CB C 117 34.800 34.800 32.014 2.786 25645 3213 1 10 . 1 1 117 117 VAL H H 117 7.790 7.790 7.489 0.301 25645 3214 1 10 . 1 1 118 118 VAL N N 118 125.349 125.349 128.666 -3.317 25645 3215 1 10 . 1 1 118 118 VAL HA H 118 4.676 4.676 4.282 0.394 25645 3216 1 10 . 1 1 118 118 VAL CA C 118 60.349 60.349 62.233 -1.885 25645 3217 1 10 . 1 1 118 118 VAL CB C 118 32.602 32.602 32.181 0.421 25645 3218 1 10 . 1 1 119 119 GLU N N 119 128.922 128.922 128.158 0.764 25645 3219 1 10 . 1 1 119 119 GLU CA C 119 53.883 53.883 54.564 -0.681 25645 3220 1 10 . 1 1 119 119 GLU CB C 119 32.066 32.066 34.168 -2.102 25645 3221 1 10 . 1 1 119 119 GLU H H 119 9.417 9.417 8.086 1.331 25645 3222 1 10 . 1 1 120 120 ILE N N 120 129.583 129.583 124.468 5.115 25645 3223 1 10 . 1 1 120 120 ILE CA C 120 59.681 59.681 59.997 -0.316 25645 3224 1 10 . 1 1 120 120 ILE CB C 120 40.042 40.042 40.668 -0.626 25645 3225 1 10 . 1 1 120 120 ILE H H 120 9.616 9.616 8.454 1.162 25645 3226 1 10 . 1 1 121 121 THR N N 121 121.955 121.955 122.560 -0.605 25645 3227 1 10 . 1 1 121 121 THR CA C 121 59.950 59.950 61.152 -1.202 25645 3228 1 10 . 1 1 121 121 THR CB C 121 70.943 70.943 68.795 2.148 25645 3229 1 10 . 1 1 121 121 THR H H 121 8.686 8.686 8.945 -0.259 25645 3230 1 10 . 1 1 122 122 GLY N N 122 111.809 111.809 113.060 -1.251 25645 3231 1 10 . 1 1 122 122 GLY CA C 122 43.346 43.346 44.821 -1.475 25645 3232 1 10 . 1 1 122 122 GLY H H 122 6.961 6.961 8.196 -1.235 25645 3233 1 10 . 1 1 123 123 LYS N N 123 122.817 122.817 125.233 -2.416 25645 3234 1 10 . 1 1 123 123 LYS CA C 123 56.015 56.015 53.717 2.298 25645 3235 1 10 . 1 1 123 123 LYS CB C 123 33.748 33.748 36.599 -2.851 25645 3236 1 10 . 1 1 123 123 LYS H H 123 8.041 8.041 7.907 0.134 25645 3237 1 10 . 1 1 124 124 HIS N N 124 122.330 122.330 119.966 2.364 25645 3238 1 10 . 1 1 124 124 HIS CA C 124 53.525 53.525 54.815 -1.290 25645 3239 1 10 . 1 1 124 124 HIS CB C 124 32.205 32.205 34.088 -1.883 25645 3240 1 10 . 1 1 124 124 HIS H H 124 9.090 9.090 8.511 0.579 25645 3241 1 10 . 1 1 125 125 GLU N N 125 122.817 122.817 123.595 -0.778 25645 3242 1 10 . 1 1 125 125 GLU HA H 125 4.418 4.418 4.324 0.094 25645 3243 1 10 . 1 1 125 125 GLU CA C 125 54.377 54.377 56.461 -2.084 25645 3244 1 10 . 1 1 125 125 GLU CB C 125 29.304 29.304 30.939 -1.635 25645 3245 1 10 . 1 1 126 126 GLU N N 126 118.410 118.410 120.787 -2.377 25645 3246 1 10 . 1 1 126 126 GLU HA H 126 4.155 4.155 4.091 0.064 25645 3247 1 10 . 1 1 126 126 GLU CA C 126 57.815 57.815 58.193 -0.378 25645 3248 1 10 . 1 1 126 126 GLU CB C 126 29.373 29.373 29.300 0.073 25645 3249 1 10 . 1 1 126 126 GLU H H 126 8.800 8.800 8.737 0.063 25645 3250 1 10 . 1 1 127 127 ARG N N 127 124.867 124.867 126.821 -1.954 25645 3251 1 10 . 1 1 127 127 ARG HA H 127 4.880 4.880 4.654 0.226 25645 3252 1 10 . 1 1 127 127 ARG CA C 127 53.544 53.544 54.695 -1.151 25645 3253 1 10 . 1 1 127 127 ARG CB C 127 32.379 32.379 32.048 0.331 25645 3254 1 10 . 1 1 127 127 ARG H H 127 8.921 8.921 8.308 0.613 25645 3255 1 10 . 1 1 128 128 GLN N N 128 122.883 122.883 122.855 0.028 25645 3256 1 10 . 1 1 128 128 GLN HA H 128 4.503 4.503 4.285 0.218 25645 3257 1 10 . 1 1 128 128 GLN CA C 128 55.175 55.175 55.559 -0.385 25645 3258 1 10 . 1 1 128 128 GLN CB C 128 28.933 28.933 29.416 -0.483 25645 3259 1 10 . 1 1 128 128 GLN H H 128 8.758 8.758 8.611 0.147 25645 3260 1 10 . 1 1 129 129 ASP N N 129 128.171 128.171 127.533 0.638 25645 3261 1 10 . 1 1 129 129 ASP CA C 129 51.655 51.655 53.023 -1.368 25645 3262 1 10 . 1 1 129 129 ASP CB C 129 41.155 41.155 44.056 -2.901 25645 3263 1 10 . 1 1 129 129 ASP H H 129 8.892 8.892 8.145 0.747 25645 3264 1 10 . 1 1 130 130 GLU N N 130 114.822 114.822 119.949 -5.127 25645 3265 1 10 . 1 1 130 130 GLU HA H 130 3.947 3.947 3.847 0.100 25645 3266 1 10 . 1 1 130 130 GLU CA C 130 58.201 58.201 57.805 0.396 25645 3267 1 10 . 1 1 130 130 GLU CB C 130 28.013 28.013 29.029 -1.016 25645 3268 1 10 . 1 1 130 130 GLU H H 130 8.799 8.799 8.776 0.023 25645 3269 1 10 . 1 1 131 131 HIS N N 131 115.145 115.145 115.122 0.023 25645 3270 1 10 . 1 1 131 131 HIS HA H 131 4.980 4.980 4.829 0.151 25645 3271 1 10 . 1 1 131 131 HIS CA C 131 55.377 55.377 55.302 0.075 25645 3272 1 10 . 1 1 131 131 HIS CB C 131 32.300 32.300 29.110 3.190 25645 3273 1 10 . 1 1 131 131 HIS H H 131 7.794 7.794 7.844 -0.050 25645 3274 1 10 . 1 1 132 132 GLY N N 132 108.839 108.839 107.533 1.306 25645 3275 1 10 . 1 1 132 132 GLY CA C 132 45.750 45.750 44.518 1.232 25645 3276 1 10 . 1 1 132 132 GLY H H 132 7.516 7.516 7.612 -0.096 25645 3277 1 10 . 1 1 133 133 TYR N N 133 122.032 122.032 120.375 1.657 25645 3278 1 10 . 1 1 133 133 TYR CA C 133 56.072 56.072 57.720 -1.648 25645 3279 1 10 . 1 1 133 133 TYR CB C 133 41.340 41.340 39.341 1.999 25645 3280 1 10 . 1 1 133 133 TYR H H 133 8.355 8.355 8.446 -0.091 25645 3281 1 10 . 1 1 134 134 ILE N N 134 118.356 118.356 122.521 -4.165 25645 3282 1 10 . 1 1 134 134 ILE CA C 134 57.630 57.630 59.878 -2.248 25645 3283 1 10 . 1 1 134 134 ILE CB C 134 41.527 41.527 41.679 -0.152 25645 3284 1 10 . 1 1 134 134 ILE H H 134 8.949 8.949 8.377 0.572 25645 3285 1 10 . 1 1 135 135 SER N N 135 123.022 123.022 120.068 2.954 25645 3286 1 10 . 1 1 135 135 SER CA C 135 56.890 56.890 58.278 -1.388 25645 3287 1 10 . 1 1 135 135 SER CB C 135 65.803 65.803 64.298 1.505 25645 3288 1 10 . 1 1 136 136 ARG N N 136 114.983 114.983 122.492 -7.509 25645 3289 1 10 . 1 1 136 136 ARG CA C 136 55.300 55.300 54.641 0.659 25645 3290 1 10 . 1 1 136 136 ARG CB C 136 36.804 36.804 33.088 3.716 25645 3291 1 10 . 1 1 136 136 ARG H H 136 5.916 5.916 8.244 -2.328 25645 3292 1 10 . 1 1 137 137 CYS N N 137 117.966 117.966 118.022 -0.056 25645 3293 1 10 . 1 1 137 137 CYS CA C 137 55.918 55.918 56.271 -0.353 25645 3294 1 10 . 1 1 137 137 CYS CB C 137 41.577 41.577 29.207 12.370 25645 3295 1 10 . 1 1 137 137 CYS H H 137 9.616 9.616 8.363 1.253 25645 3296 1 10 . 1 1 138 138 PHE N N 138 120.959 120.959 125.610 -4.651 25645 3297 1 10 . 1 1 138 138 PHE CA C 138 57.921 57.921 57.030 0.891 25645 3298 1 10 . 1 1 138 138 PHE CB C 138 40.796 40.796 40.086 0.711 25645 3299 1 10 . 1 1 138 138 PHE H H 138 9.306 9.306 9.699 -0.393 25645 3300 1 10 . 1 1 139 139 THR N N 139 115.870 115.870 122.221 -6.351 25645 3301 1 10 . 1 1 139 139 THR CA C 139 62.202 62.202 61.851 0.351 25645 3302 1 10 . 1 1 139 139 THR CB C 139 71.765 71.765 69.657 2.108 25645 3303 1 10 . 1 1 139 139 THR H H 139 8.336 8.336 8.343 -0.007 25645 3304 1 10 . 1 1 140 140 ARG N N 140 129.223 129.223 126.558 2.665 25645 3305 1 10 . 1 1 140 140 ARG CA C 140 53.286 53.286 55.339 -2.053 25645 3306 1 10 . 1 1 140 140 ARG CB C 140 32.505 32.505 33.560 -1.055 25645 3307 1 10 . 1 1 140 140 ARG H H 140 9.858 9.858 8.309 1.549 25645 3308 1 10 . 1 1 141 141 LYS N N 141 123.968 123.968 124.392 -0.424 25645 3309 1 10 . 1 1 141 141 LYS HA H 141 5.677 5.677 5.018 0.659 25645 3310 1 10 . 1 1 141 141 LYS CA C 141 53.931 53.931 55.994 -2.063 25645 3311 1 10 . 1 1 141 141 LYS CB C 141 35.675 35.675 35.401 0.274 25645 3312 1 10 . 1 1 141 141 LYS H H 141 8.788 8.788 8.556 0.232 25645 3313 1 10 . 1 1 142 142 TYR N N 142 121.120 121.120 126.627 -5.507 25645 3314 1 10 . 1 1 142 142 TYR CA C 142 55.983 55.983 56.419 -0.435 25645 3315 1 10 . 1 1 142 142 TYR CB C 142 41.189 41.189 39.968 1.222 25645 3316 1 10 . 1 1 142 142 TYR H H 142 9.335 9.335 9.322 0.013 25645 3317 1 10 . 1 1 143 143 THR N N 143 119.260 119.260 121.840 -2.580 25645 3318 1 10 . 1 1 143 143 THR CA C 143 62.091 62.091 62.166 -0.075 25645 3319 1 10 . 1 1 143 143 THR CB C 143 68.728 68.728 68.193 0.535 25645 3320 1 10 . 1 1 143 143 THR H H 143 8.907 8.907 8.595 0.312 25645 3321 1 10 . 1 1 144 144 LEU N N 144 128.655 128.655 128.214 0.441 25645 3322 1 10 . 1 1 144 144 LEU CA C 144 52.057 52.057 51.441 0.616 25645 3323 1 10 . 1 1 144 144 LEU CB C 144 40.611 40.611 42.971 -2.360 25645 3324 1 10 . 1 1 144 144 LEU H H 144 8.190 8.190 8.010 0.180 25645 3325 1 10 . 1 1 146 146 PRO CA C 146 62.697 62.697 64.126 -1.429 25645 3326 1 10 . 1 1 146 146 PRO CB C 146 30.337 30.337 30.202 0.135 25645 3327 1 10 . 1 1 147 147 GLY N N 147 109.243 109.243 106.498 2.745 25645 3328 1 10 . 1 1 147 147 GLY CA C 147 44.659 44.659 45.423 -0.764 25645 3329 1 10 . 1 1 147 147 GLY H H 147 8.473 8.473 7.764 0.709 25645 3330 1 10 . 1 1 148 148 VAL N N 148 120.323 120.323 123.120 -2.797 25645 3331 1 10 . 1 1 148 148 VAL HA H 148 3.867 3.867 3.363 0.504 25645 3332 1 10 . 1 1 148 148 VAL CA C 148 62.132 62.132 62.989 -0.857 25645 3333 1 10 . 1 1 148 148 VAL CB C 148 30.798 30.798 31.705 -0.907 25645 3334 1 10 . 1 1 148 148 VAL H H 148 7.020 7.020 7.604 -0.584 25645 3335 1 10 . 1 1 149 149 ASP N N 149 130.411 130.411 129.399 1.012 25645 3336 1 10 . 1 1 149 149 ASP CA C 149 49.931 49.931 54.020 -4.089 25645 3337 1 10 . 1 1 149 149 ASP CB C 149 40.925 40.925 41.717 -0.792 25645 3338 1 10 . 1 1 149 149 ASP H H 149 8.798 8.798 8.485 0.313 25645 3339 1 10 . 1 1 150 150 PRO HA H 150 4.039 4.039 4.428 -0.389 25645 3340 1 10 . 1 1 150 150 PRO CA C 150 64.379 64.379 64.210 0.169 25645 3341 1 10 . 1 1 150 150 PRO CB C 150 31.158 31.158 32.589 -1.431 25645 3342 1 10 . 1 1 151 151 THR N N 151 108.501 108.501 109.886 -1.385 25645 3343 1 10 . 1 1 151 151 THR CA C 151 63.540 63.540 63.514 0.026 25645 3344 1 10 . 1 1 151 151 THR CB C 151 68.784 68.784 69.339 -0.555 25645 3345 1 10 . 1 1 151 151 THR H H 151 8.295 8.295 7.952 0.343 25645 3346 1 10 . 1 1 152 152 GLN N N 152 119.655 119.655 119.975 -0.320 25645 3347 1 10 . 1 1 152 152 GLN HA H 152 4.433 4.433 4.525 -0.092 25645 3348 1 10 . 1 1 152 152 GLN CA C 152 54.247 54.247 55.242 -0.995 25645 3349 1 10 . 1 1 152 152 GLN CB C 152 28.118 28.118 30.073 -1.955 25645 3350 1 10 . 1 1 153 153 VAL N N 153 120.424 120.424 121.433 -1.009 25645 3351 1 10 . 1 1 153 153 VAL HA H 153 4.584 4.584 4.257 0.327 25645 3352 1 10 . 1 1 153 153 VAL CA C 153 62.129 62.129 61.872 0.257 25645 3353 1 10 . 1 1 153 153 VAL CB C 153 30.632 30.632 31.458 -0.826 25645 3354 1 10 . 1 1 153 153 VAL H H 153 6.881 6.881 7.832 -0.951 25645 3355 1 10 . 1 1 154 154 SER N N 154 124.948 124.948 123.579 1.369 25645 3356 1 10 . 1 1 154 154 SER CA C 154 56.292 56.292 57.751 -1.459 25645 3357 1 10 . 1 1 154 154 SER CB C 154 66.028 66.028 64.281 1.747 25645 3358 1 10 . 1 1 154 154 SER H H 154 9.507 9.507 8.329 1.178 25645 3359 1 10 . 1 1 155 155 SER N N 155 114.211 114.211 115.202 -0.991 25645 3360 1 10 . 1 1 155 155 SER CA C 155 56.407 56.407 57.622 -1.215 25645 3361 1 10 . 1 1 155 155 SER CB C 155 66.880 66.880 66.659 0.221 25645 3362 1 10 . 1 1 155 155 SER H H 155 8.390 8.390 8.105 0.285 25645 3363 1 10 . 1 1 156 156 SER N N 156 114.400 114.400 117.777 -3.377 25645 3364 1 10 . 1 1 156 156 SER CA C 156 57.035 57.035 57.542 -0.507 25645 3365 1 10 . 1 1 156 156 SER CB C 156 65.136 65.136 65.115 0.021 25645 3366 1 10 . 1 1 156 156 SER H H 156 8.679 8.679 8.878 -0.199 25645 3367 1 10 . 1 1 157 157 LEU N N 157 127.132 127.132 125.615 1.517 25645 3368 1 10 . 1 1 157 157 LEU CA C 157 52.943 52.943 53.889 -0.946 25645 3369 1 10 . 1 1 157 157 LEU CB C 157 43.606 43.606 45.005 -1.399 25645 3370 1 10 . 1 1 157 157 LEU H H 157 8.623 8.623 8.463 0.160 25645 3371 1 10 . 1 1 158 158 SER N N 158 124.449 124.449 121.220 3.229 25645 3372 1 10 . 1 1 158 158 SER CA C 158 55.551 55.551 54.548 1.003 25645 3373 1 10 . 1 1 158 158 SER CB C 158 63.266 63.266 64.679 -1.413 25645 3374 1 10 . 1 1 158 158 SER H H 158 8.926 8.926 8.299 0.627 25645 3375 1 10 . 1 1 159 159 PRO CA C 159 64.391 64.391 64.902 -0.511 25645 3376 1 10 . 1 1 159 159 PRO CB C 159 30.274 30.274 31.938 -1.664 25645 3377 1 10 . 1 1 160 160 GLU N N 160 113.862 113.862 114.479 -0.617 25645 3378 1 10 . 1 1 160 160 GLU HA H 160 4.315 4.315 2.843 1.472 25645 3379 1 10 . 1 1 160 160 GLU CA C 160 56.071 56.071 55.632 0.439 25645 3380 1 10 . 1 1 160 160 GLU CB C 160 28.031 28.031 27.852 0.179 25645 3381 1 10 . 1 1 160 160 GLU H H 160 7.884 7.884 8.139 -0.255 25645 3382 1 10 . 1 1 161 161 GLY N N 161 108.198 108.198 108.090 0.108 25645 3383 1 10 . 1 1 161 161 GLY CA C 161 45.836 45.836 45.978 -0.142 25645 3384 1 10 . 1 1 161 161 GLY H H 161 8.093 8.093 7.925 0.168 25645 3385 1 10 . 1 1 162 162 THR N N 162 113.714 113.714 115.413 -1.699 25645 3386 1 10 . 1 1 162 162 THR CA C 162 61.051 61.051 61.633 -0.582 25645 3387 1 10 . 1 1 162 162 THR CB C 162 68.924 68.924 69.155 -0.231 25645 3388 1 10 . 1 1 162 162 THR H H 162 7.436 7.436 7.457 -0.021 25645 3389 1 10 . 1 1 163 163 LEU N N 163 106.660 106.660 132.400 -25.740 25645 3390 1 10 . 1 1 163 163 LEU CA C 163 53.400 53.400 52.561 0.839 25645 3391 1 10 . 1 1 163 163 LEU CB C 163 43.882 43.882 43.822 0.060 25645 3392 1 10 . 1 1 163 163 LEU H H 163 9.571 9.571 8.412 1.159 25645 3393 1 10 . 1 1 164 164 THR N N 164 123.931 123.931 122.408 1.523 25645 3394 1 10 . 1 1 164 164 THR CA C 164 61.246 61.246 60.486 0.760 25645 3395 1 10 . 1 1 164 164 THR CB C 164 70.034 70.034 69.228 0.806 25645 3396 1 10 . 1 1 164 164 THR H H 164 9.165 9.165 9.051 0.114 25645 3397 1 10 . 1 1 165 165 VAL N N 165 128.872 128.872 122.136 6.736 25645 3398 1 10 . 1 1 165 165 VAL HA H 165 4.887 4.887 4.834 0.053 25645 3399 1 10 . 1 1 165 165 VAL CA C 165 60.037 60.037 59.071 0.966 25645 3400 1 10 . 1 1 165 165 VAL CB C 165 32.397 32.397 32.622 -0.225 25645 3401 1 10 . 1 1 165 165 VAL H H 165 8.892 8.892 9.135 -0.243 25645 3402 1 10 . 1 1 166 166 GLU N N 166 122.017 122.017 127.788 -5.771 25645 3403 1 10 . 1 1 166 166 GLU HA H 166 5.976 5.976 5.448 0.528 25645 3404 1 10 . 1 1 166 166 GLU CA C 166 53.604 53.604 54.187 -0.583 25645 3405 1 10 . 1 1 166 166 GLU CB C 166 34.427 34.427 32.457 1.970 25645 3406 1 10 . 1 1 166 166 GLU H H 166 8.973 8.973 8.374 0.599 25645 3407 1 10 . 1 1 167 167 ALA N N 167 121.099 121.099 124.018 -2.919 25645 3408 1 10 . 1 1 167 167 ALA CA C 167 49.696 49.696 50.850 -1.154 25645 3409 1 10 . 1 1 167 167 ALA CB C 167 21.689 21.689 21.809 -0.120 25645 3410 1 10 . 1 1 167 167 ALA H H 167 9.464 9.464 9.060 0.404 25645 3411 1 10 . 1 1 168 168 PRO HA H 168 4.644 4.644 5.558 -0.914 25645 3412 1 10 . 1 1 168 168 PRO CA C 168 62.139 62.139 62.207 -0.068 25645 3413 1 10 . 1 1 168 168 PRO CB C 168 30.564 30.564 31.400 -0.836 25645 3414 1 10 . 1 1 169 169 MET N N 169 120.747 120.747 122.962 -2.215 25645 3415 1 10 . 1 1 169 169 MET CA C 169 51.702 51.702 52.488 -0.786 25645 3416 1 10 . 1 1 169 169 MET CB C 169 31.123 31.123 32.949 -1.825 25645 3417 1 10 . 1 1 169 169 MET H H 169 7.726 7.726 7.870 -0.144 25645 3418 1 10 . 1 1 170 170 PRO HA H 170 4.401 4.401 4.417 -0.016 25645 3419 1 10 . 1 1 170 170 PRO CA C 170 62.148 62.148 62.287 -0.139 25645 3420 1 10 . 1 1 170 170 PRO CB C 170 30.765 30.765 29.676 1.089 25645 3421 1 10 . 1 1 171 171 LYS N N 171 123.033 123.033 123.353 -0.320 25645 3422 1 10 . 1 1 171 171 LYS HA H 171 4.300 4.300 4.109 0.191 25645 3423 1 10 . 1 1 171 171 LYS CA C 171 55.621 55.621 55.834 -0.213 25645 3424 1 10 . 1 1 171 171 LYS CB C 171 31.856 31.856 32.616 -0.760 25645 3425 1 10 . 1 1 171 171 LYS H H 171 8.296 8.296 7.702 0.594 25645 3426 1 10 . 1 1 172 172 LEU N N 172 124.281 124.281 122.625 1.656 25645 3427 1 10 . 1 1 172 172 LEU CA C 172 54.400 54.400 55.818 -1.418 25645 3428 1 10 . 1 1 172 172 LEU CB C 172 41.389 41.389 42.375 -0.986 25645 3429 1 10 . 1 1 172 172 LEU H H 172 8.262 8.262 8.394 -0.132 25645 3430 1 10 . 1 1 173 173 ALA N N 173 125.260 125.260 129.606 -4.346 25645 3431 1 10 . 1 1 173 173 ALA CA C 173 51.903 51.903 52.894 -0.991 25645 3432 1 10 . 1 1 173 173 ALA CB C 173 17.894 17.894 17.470 0.424 25645 3433 1 10 . 1 1 173 173 ALA H H 173 8.343 8.343 8.724 -0.381 25645 3434 1 10 . 1 1 174 174 THR N N 174 112.925 112.925 115.591 -2.666 25645 3435 1 10 . 1 1 174 174 THR CA C 174 61.562 61.562 62.151 -0.589 25645 3436 1 10 . 1 1 174 174 THR CB C 174 69.156 69.156 69.409 -0.253 25645 3437 1 10 . 1 1 174 174 THR H H 174 7.990 7.990 8.333 -0.343 25645 3438 1 10 . 1 1 175 175 GLN HA H 175 4.425 4.425 4.576 -0.151 25645 3439 1 10 . 1 1 175 175 GLN CA C 175 55.430 55.430 55.451 -0.021 25645 3440 1 10 . 1 1 175 175 GLN CB C 175 28.460 28.460 28.537 -0.077 25645 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 76 4.509 1.034 4.418 25645 2 1 1 "Average Difference" HA 32 0.367 -0.201 0.311 25645 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25645 4 1 1 "Average Difference" CA 89 1.404 0.680 1.236 25645 5 1 1 "Average Difference" CB 83 1.927 0.002 1.939 25645 6 1 1 "Average Difference" HN 69 0.754 -0.138 0.747 25645 7 1 2 "Average Difference" N 76 4.594 0.773 4.559 25645 8 1 2 "Average Difference" HA 32 0.347 -0.163 0.311 25645 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25645 10 1 2 "Average Difference" CA 89 1.317 0.627 1.165 25645 11 1 2 "Average Difference" CB 83 1.930 0.061 1.941 25645 12 1 2 "Average Difference" HN 69 0.710 -0.030 0.714 25645 13 1 3 "Average Difference" N 76 4.603 1.136 4.490 25645 14 1 3 "Average Difference" HA 32 0.394 -0.222 0.331 25645 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25645 16 1 3 "Average Difference" CA 89 1.372 0.708 1.181 25645 17 1 3 "Average Difference" CB 83 1.984 -0.059 1.996 25645 18 1 3 "Average Difference" HN 69 0.720 -0.096 0.718 25645 19 1 4 "Average Difference" N 76 4.613 1.316 4.451 25645 20 1 4 "Average Difference" HA 32 0.384 -0.210 0.327 25645 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25645 22 1 4 "Average Difference" CA 89 1.246 0.576 1.111 25645 23 1 4 "Average Difference" CB 83 2.107 -0.047 2.120 25645 24 1 4 "Average Difference" HN 69 0.675 -0.071 0.676 25645 25 1 5 "Average Difference" N 76 4.439 1.258 4.286 25645 26 1 5 "Average Difference" HA 32 0.383 -0.158 0.354 25645 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25645 28 1 5 "Average Difference" CA 89 1.224 0.500 1.123 25645 29 1 5 "Average Difference" CB 83 2.068 -0.028 2.080 25645 30 1 5 "Average Difference" HN 69 0.638 -0.026 0.643 25645 31 1 6 "Average Difference" N 76 4.537 1.049 4.444 25645 32 1 6 "Average Difference" HA 32 0.395 -0.191 0.352 25645 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25645 34 1 6 "Average Difference" CA 89 1.337 0.610 1.196 25645 35 1 6 "Average Difference" CB 83 1.974 -0.028 1.986 25645 36 1 6 "Average Difference" HN 69 0.614 -0.051 0.617 25645 37 1 7 "Average Difference" N 76 4.395 1.149 4.270 25645 38 1 7 "Average Difference" HA 32 0.352 -0.173 0.312 25645 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25645 40 1 7 "Average Difference" CA 89 1.179 0.498 1.075 25645 41 1 7 "Average Difference" CB 83 2.017 -0.058 2.028 25645 42 1 7 "Average Difference" HN 69 0.806 -0.125 0.802 25645 43 1 8 "Average Difference" N 76 4.556 0.946 4.486 25645 44 1 8 "Average Difference" HA 32 0.433 -0.234 0.370 25645 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25645 46 1 8 "Average Difference" CA 89 1.282 0.613 1.132 25645 47 1 8 "Average Difference" CB 83 1.990 0.027 2.002 25645 48 1 8 "Average Difference" HN 69 0.754 -0.080 0.756 25645 49 1 9 "Average Difference" N 76 4.307 1.379 4.108 25645 50 1 9 "Average Difference" HA 32 0.400 -0.196 0.355 25645 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25645 52 1 9 "Average Difference" CA 89 1.343 0.622 1.197 25645 53 1 9 "Average Difference" CB 83 1.905 -0.024 1.916 25645 54 1 9 "Average Difference" HN 69 0.678 -0.075 0.679 25645 55 1 10 "Average Difference" N 76 4.436 1.184 4.303 25645 56 1 10 "Average Difference" HA 32 0.454 -0.212 0.408 25645 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25645 58 1 10 "Average Difference" CA 89 1.412 0.706 1.230 25645 59 1 10 "Average Difference" CB 83 1.957 0.009 1.969 25645 60 1 10 "Average Difference" HN 69 0.627 -0.123 0.619 25645 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 25645 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 80 80 GLN CA C 80 55.036 55.036 56.326 -1.290 25645 2 1 . 1 1 80 80 GLN CB C 80 28.313 28.313 28.732 -0.419 25645 3 1 . 1 1 81 81 LEU N N 81 125.126 125.126 119.636 5.490 25645 4 1 . 1 1 81 81 LEU CB C 81 41.212 41.212 41.372 -0.160 25645 5 1 . 1 1 81 81 LEU H H 81 8.563 8.563 8.312 0.251 25645 6 1 . 1 1 84 84 GLY CA C 84 44.806 44.806 45.536 -0.730 25645 7 1 . 1 1 85 85 VAL N N 85 120.010 120.010 119.887 0.123 25645 8 1 . 1 1 85 85 VAL CA C 85 62.182 62.182 62.464 -0.282 25645 9 1 . 1 1 85 85 VAL CB C 85 31.766 31.766 31.623 0.143 25645 10 1 . 1 1 85 85 VAL H H 85 7.975 7.975 7.997 -0.022 25645 11 1 . 1 1 86 86 SER CA C 86 57.128 57.128 58.605 -1.477 25645 12 1 . 1 1 86 86 SER CB C 86 63.886 63.886 63.501 0.384 25645 13 1 . 1 1 87 87 GLU N N 87 124.764 124.764 122.156 2.608 25645 14 1 . 1 1 87 87 GLU CA C 87 55.702 55.702 56.886 -1.184 25645 15 1 . 1 1 88 88 ILE CA C 88 59.909 59.909 61.454 -1.545 25645 16 1 . 1 1 88 88 ILE CB C 88 35.909 35.909 37.594 -1.685 25645 17 1 . 1 1 89 89 ARG N N 89 126.800 126.800 122.541 4.259 25645 18 1 . 1 1 89 89 ARG CA C 89 54.024 54.024 56.418 -2.394 25645 19 1 . 1 1 89 89 ARG CB C 89 30.285 30.285 30.106 0.179 25645 20 1 . 1 1 89 89 ARG H H 89 8.231 8.231 8.243 -0.012 25645 21 1 . 1 1 93 93 ASP HA H 93 4.745 4.745 4.573 0.172 25645 22 1 . 1 1 93 93 ASP CA C 93 53.541 53.541 54.696 -1.154 25645 23 1 . 1 1 93 93 ASP CB C 93 41.335 41.335 41.558 -0.222 25645 24 1 . 1 1 94 94 ARG N N 94 121.910 121.910 119.422 2.488 25645 25 1 . 1 1 94 94 ARG HA H 94 4.823 4.823 4.639 0.184 25645 26 1 . 1 1 94 94 ARG CA C 94 54.982 54.982 55.174 -0.191 25645 27 1 . 1 1 94 94 ARG CB C 94 32.387 32.387 30.824 1.563 25645 28 1 . 1 1 94 94 ARG H H 94 7.811 7.811 8.402 -0.591 25645 29 1 . 1 1 95 95 TRP N N 95 129.134 129.134 126.334 2.800 25645 30 1 . 1 1 95 95 TRP CA C 95 55.731 55.731 56.246 -0.515 25645 31 1 . 1 1 95 95 TRP CB C 95 29.371 29.371 31.321 -1.950 25645 32 1 . 1 1 95 95 TRP H H 95 9.067 9.067 9.178 -0.111 25645 33 1 . 1 1 96 96 ARG HA H 96 5.022 5.022 4.885 0.137 25645 34 1 . 1 1 96 96 ARG CA C 96 55.252 55.252 55.124 0.128 25645 35 1 . 1 1 96 96 ARG CB C 96 32.455 32.455 31.787 0.668 25645 36 1 . 1 1 97 97 VAL N N 97 119.924 119.924 126.941 -7.017 25645 37 1 . 1 1 97 97 VAL HA H 97 4.474 4.474 4.426 0.048 25645 38 1 . 1 1 97 97 VAL CA C 97 58.208 58.208 60.170 -1.962 25645 39 1 . 1 1 97 97 VAL CB C 97 34.114 34.114 35.934 -1.820 25645 40 1 . 1 1 97 97 VAL H H 97 8.316 8.316 8.844 -0.528 25645 41 1 . 1 1 98 98 SER N N 98 116.475 116.475 117.889 -1.414 25645 42 1 . 1 1 98 98 SER CA C 98 56.851 56.851 56.891 -0.040 25645 43 1 . 1 1 98 98 SER CB C 98 66.291 66.291 65.590 0.701 25645 44 1 . 1 1 99 99 LEU N N 99 122.870 122.870 124.945 -2.075 25645 45 1 . 1 1 99 99 LEU CA C 99 53.560 53.560 54.181 -0.621 25645 46 1 . 1 1 99 99 LEU CB C 99 44.394 44.394 43.021 1.373 25645 47 1 . 1 1 99 99 LEU H H 99 9.161 9.161 9.081 0.080 25645 48 1 . 1 1 100 100 ASP CA C 100 53.766 53.766 55.683 -1.917 25645 49 1 . 1 1 100 100 ASP CB C 100 39.856 39.856 40.519 -0.663 25645 50 1 . 1 1 101 101 VAL N N 101 121.612 121.612 119.430 2.182 25645 51 1 . 1 1 101 101 VAL CA C 101 58.728 58.728 63.331 -4.603 25645 52 1 . 1 1 101 101 VAL CB C 101 30.010 30.010 32.668 -2.658 25645 53 1 . 1 1 101 101 VAL H H 101 8.484 8.484 8.049 0.435 25645 54 1 . 1 1 102 102 ASN N N 102 118.997 118.997 119.335 -0.338 25645 55 1 . 1 1 102 102 ASN CA C 102 56.518 56.518 54.641 1.877 25645 56 1 . 1 1 102 102 ASN CB C 102 38.488 38.488 37.597 0.891 25645 57 1 . 1 1 102 102 ASN H H 102 8.010 8.010 8.263 -0.253 25645 58 1 . 1 1 103 103 HIS N N 103 114.123 114.123 119.176 -5.053 25645 59 1 . 1 1 103 103 HIS HA H 103 4.290 4.290 4.214 0.076 25645 60 1 . 1 1 103 103 HIS CA C 103 57.386 57.386 58.246 -0.860 25645 61 1 . 1 1 103 103 HIS CB C 103 29.639 29.639 28.646 0.993 25645 62 1 . 1 1 103 103 HIS H H 103 7.817 7.817 8.073 -0.256 25645 63 1 . 1 1 104 104 PHE N N 104 117.452 117.452 115.337 2.115 25645 64 1 . 1 1 104 104 PHE CA C 104 57.411 57.411 57.849 -0.438 25645 65 1 . 1 1 104 104 PHE CB C 104 40.120 40.120 39.525 0.595 25645 66 1 . 1 1 104 104 PHE H H 104 8.315 8.315 6.912 1.403 25645 67 1 . 1 1 105 105 ALA N N 105 126.820 126.820 122.409 4.411 25645 68 1 . 1 1 105 105 ALA CA C 105 49.383 49.383 49.246 0.137 25645 69 1 . 1 1 105 105 ALA CB C 105 17.252 17.252 19.537 -2.285 25645 70 1 . 1 1 105 105 ALA H H 105 9.290 9.290 8.001 1.289 25645 71 1 . 1 1 106 106 PRO CA C 106 65.904 65.904 64.283 1.621 25645 72 1 . 1 1 106 106 PRO CB C 106 30.445 30.445 32.422 -1.977 25645 73 1 . 1 1 107 107 ASP N N 107 110.250 110.250 119.233 -8.983 25645 74 1 . 1 1 107 107 ASP CA C 107 53.849 53.849 55.699 -1.850 25645 75 1 . 1 1 107 107 ASP CB C 107 38.993 38.993 40.947 -1.954 25645 76 1 . 1 1 107 107 ASP H H 107 8.122 8.122 8.513 -0.391 25645 77 1 . 1 1 108 108 GLU N N 108 120.254 120.254 120.448 -0.194 25645 78 1 . 1 1 108 108 GLU CA C 108 55.584 55.584 56.044 -0.461 25645 79 1 . 1 1 108 108 GLU CB C 108 28.838 28.838 28.133 0.705 25645 80 1 . 1 1 108 108 GLU H H 108 8.164 8.164 8.516 -0.352 25645 81 1 . 1 1 109 109 LEU N N 109 120.135 120.135 121.722 -1.587 25645 82 1 . 1 1 109 109 LEU CA C 109 52.717 52.717 53.706 -0.989 25645 83 1 . 1 1 109 109 LEU CB C 109 45.419 45.419 45.806 -0.387 25645 84 1 . 1 1 109 109 LEU H H 109 7.113 7.113 7.563 -0.450 25645 85 1 . 1 1 110 110 THR N N 110 115.508 115.508 121.730 -6.222 25645 86 1 . 1 1 110 110 THR CA C 110 60.148 60.148 61.071 -0.923 25645 87 1 . 1 1 110 110 THR CB C 110 71.203 71.203 70.599 0.604 25645 88 1 . 1 1 111 111 VAL N N 111 124.271 124.271 127.243 -2.973 25645 89 1 . 1 1 111 111 VAL HA H 111 4.824 4.824 4.299 0.525 25645 90 1 . 1 1 111 111 VAL CA C 111 61.069 61.069 61.919 -0.851 25645 91 1 . 1 1 111 111 VAL CB C 111 32.613 32.613 32.205 0.408 25645 92 1 . 1 1 111 111 VAL H H 111 8.448 8.448 8.759 -0.311 25645 93 1 . 1 1 112 112 LYS N N 112 127.684 127.684 129.188 -1.504 25645 94 1 . 1 1 112 112 LYS CA C 112 54.406 54.406 54.817 -0.411 25645 95 1 . 1 1 112 112 LYS CB C 112 35.342 35.342 34.721 0.621 25645 96 1 . 1 1 112 112 LYS H H 112 9.060 9.060 8.339 0.720 25645 97 1 . 1 1 113 113 THR N N 113 118.383 118.383 120.212 -1.829 25645 98 1 . 1 1 113 113 THR CA C 113 60.487 60.487 62.019 -1.532 25645 99 1 . 1 1 113 113 THR CB C 113 68.992 68.992 69.526 -0.534 25645 100 1 . 1 1 113 113 THR H H 113 8.536 8.536 8.623 -0.087 25645 101 1 . 1 1 114 114 LYS N N 114 125.354 125.354 127.119 -1.765 25645 102 1 . 1 1 114 114 LYS CA C 114 55.481 55.481 54.799 0.682 25645 103 1 . 1 1 114 114 LYS CB C 114 33.686 33.686 33.512 0.174 25645 104 1 . 1 1 114 114 LYS H H 114 8.650 8.650 9.000 -0.350 25645 105 1 . 1 1 115 115 ASP N N 115 124.373 124.373 126.120 -1.747 25645 106 1 . 1 1 115 115 ASP HA H 115 4.373 4.373 4.351 0.022 25645 107 1 . 1 1 115 115 ASP CA C 115 55.485 55.485 55.559 -0.074 25645 108 1 . 1 1 115 115 ASP CB C 115 39.176 39.176 39.946 -0.770 25645 109 1 . 1 1 115 115 ASP H H 115 9.018 9.018 8.981 0.037 25645 110 1 . 1 1 116 116 GLY N N 116 105.265 105.265 106.153 -0.888 25645 111 1 . 1 1 116 116 GLY CA C 116 45.343 45.343 45.049 0.294 25645 112 1 . 1 1 116 116 GLY H H 116 8.677 8.677 8.512 0.165 25645 113 1 . 1 1 117 117 VAL N N 117 120.174 120.174 122.111 -1.937 25645 114 1 . 1 1 117 117 VAL HA H 117 5.008 5.008 4.580 0.428 25645 115 1 . 1 1 117 117 VAL CA C 117 59.834 59.834 61.812 -1.978 25645 116 1 . 1 1 117 117 VAL CB C 117 34.800 34.800 32.239 2.561 25645 117 1 . 1 1 117 117 VAL H H 117 7.790 7.790 8.096 -0.306 25645 118 1 . 1 1 118 118 VAL N N 118 125.349 125.349 128.948 -3.599 25645 119 1 . 1 1 118 118 VAL HA H 118 4.676 4.676 4.358 0.318 25645 120 1 . 1 1 118 118 VAL CA C 118 60.349 60.349 61.931 -1.582 25645 121 1 . 1 1 118 118 VAL CB C 118 32.602 32.602 32.812 -0.210 25645 122 1 . 1 1 119 119 GLU N N 119 128.922 128.922 128.309 0.613 25645 123 1 . 1 1 119 119 GLU CA C 119 53.883 53.883 54.598 -0.715 25645 124 1 . 1 1 119 119 GLU CB C 119 32.066 32.066 33.842 -1.776 25645 125 1 . 1 1 119 119 GLU H H 119 9.417 9.417 8.313 1.104 25645 126 1 . 1 1 120 120 ILE N N 120 129.583 129.583 125.065 4.518 25645 127 1 . 1 1 120 120 ILE CA C 120 59.681 59.681 59.435 0.246 25645 128 1 . 1 1 120 120 ILE CB C 120 40.042 40.042 40.014 0.028 25645 129 1 . 1 1 120 120 ILE H H 120 9.616 9.616 8.470 1.146 25645 130 1 . 1 1 121 121 THR N N 121 121.955 121.955 123.158 -1.203 25645 131 1 . 1 1 121 121 THR CA C 121 59.950 59.950 61.236 -1.286 25645 132 1 . 1 1 121 121 THR CB C 121 70.943 70.943 69.498 1.445 25645 133 1 . 1 1 121 121 THR H H 121 8.686 8.686 9.040 -0.354 25645 134 1 . 1 1 122 122 GLY N N 122 111.809 111.809 112.886 -1.077 25645 135 1 . 1 1 122 122 GLY CA C 122 43.346 43.346 45.011 -1.665 25645 136 1 . 1 1 122 122 GLY H H 122 6.961 6.961 8.307 -1.345 25645 137 1 . 1 1 123 123 LYS N N 123 122.817 122.817 125.131 -2.314 25645 138 1 . 1 1 123 123 LYS CA C 123 56.015 56.015 54.347 1.668 25645 139 1 . 1 1 123 123 LYS CB C 123 33.748 33.748 35.853 -2.105 25645 140 1 . 1 1 123 123 LYS H H 123 8.041 8.041 7.867 0.174 25645 141 1 . 1 1 124 124 HIS N N 124 122.330 122.330 121.386 0.944 25645 142 1 . 1 1 124 124 HIS CA C 124 53.525 53.525 54.708 -1.183 25645 143 1 . 1 1 124 124 HIS CB C 124 32.205 32.205 32.461 -0.256 25645 144 1 . 1 1 124 124 HIS H H 124 9.090 9.090 8.129 0.961 25645 145 1 . 1 1 125 125 GLU N N 125 122.817 122.817 122.209 0.608 25645 146 1 . 1 1 125 125 GLU HA H 125 4.418 4.418 4.218 0.200 25645 147 1 . 1 1 125 125 GLU CA C 125 54.377 54.377 56.287 -1.910 25645 148 1 . 1 1 125 125 GLU CB C 125 29.304 29.304 30.692 -1.388 25645 149 1 . 1 1 126 126 GLU N N 126 118.410 118.410 120.637 -2.227 25645 150 1 . 1 1 126 126 GLU HA H 126 4.155 4.155 3.999 0.156 25645 151 1 . 1 1 126 126 GLU CA C 126 57.815 57.815 57.811 0.004 25645 152 1 . 1 1 126 126 GLU CB C 126 29.373 29.373 29.333 0.040 25645 153 1 . 1 1 126 126 GLU H H 126 8.800 8.800 8.592 0.208 25645 154 1 . 1 1 127 127 ARG N N 127 124.867 124.867 125.843 -0.976 25645 155 1 . 1 1 127 127 ARG HA H 127 4.880 4.880 4.574 0.306 25645 156 1 . 1 1 127 127 ARG CA C 127 53.544 53.544 54.680 -1.136 25645 157 1 . 1 1 127 127 ARG CB C 127 32.379 32.379 32.273 0.107 25645 158 1 . 1 1 127 127 ARG H H 127 8.921 8.921 8.149 0.772 25645 159 1 . 1 1 128 128 GLN N N 128 122.883 122.883 123.566 -0.683 25645 160 1 . 1 1 128 128 GLN HA H 128 4.503 4.503 4.517 -0.014 25645 161 1 . 1 1 128 128 GLN CA C 128 55.175 55.175 55.721 -0.546 25645 162 1 . 1 1 128 128 GLN CB C 128 28.933 28.933 29.800 -0.867 25645 163 1 . 1 1 128 128 GLN H H 128 8.758 8.758 8.609 0.149 25645 164 1 . 1 1 129 129 ASP N N 129 128.171 128.171 126.601 1.570 25645 165 1 . 1 1 129 129 ASP CA C 129 51.655 51.655 53.098 -1.443 25645 166 1 . 1 1 129 129 ASP CB C 129 41.155 41.155 43.535 -2.380 25645 167 1 . 1 1 129 129 ASP H H 129 8.892 8.892 8.589 0.303 25645 168 1 . 1 1 130 130 GLU N N 130 114.822 114.822 120.101 -5.279 25645 169 1 . 1 1 130 130 GLU HA H 130 3.947 3.947 4.012 -0.065 25645 170 1 . 1 1 130 130 GLU CA C 130 58.201 58.201 58.070 0.131 25645 171 1 . 1 1 130 130 GLU CB C 130 28.013 28.013 29.416 -1.403 25645 172 1 . 1 1 130 130 GLU H H 130 8.799 8.799 8.780 0.019 25645 173 1 . 1 1 131 131 HIS N N 131 115.145 115.145 115.730 -0.585 25645 174 1 . 1 1 131 131 HIS HA H 131 4.980 4.980 4.776 0.204 25645 175 1 . 1 1 131 131 HIS CA C 131 55.377 55.377 55.555 -0.178 25645 176 1 . 1 1 131 131 HIS CB C 131 32.300 32.300 29.850 2.450 25645 177 1 . 1 1 131 131 HIS H H 131 7.794 7.794 8.227 -0.433 25645 178 1 . 1 1 132 132 GLY N N 132 108.839 108.839 107.683 1.156 25645 179 1 . 1 1 132 132 GLY CA C 132 45.750 45.750 44.682 1.068 25645 180 1 . 1 1 132 132 GLY H H 132 7.516 7.516 7.831 -0.315 25645 181 1 . 1 1 133 133 TYR N N 133 122.032 122.032 119.838 2.194 25645 182 1 . 1 1 133 133 TYR CA C 133 56.072 56.072 56.375 -0.303 25645 183 1 . 1 1 133 133 TYR CB C 133 41.340 41.340 39.807 1.533 25645 184 1 . 1 1 133 133 TYR H H 133 8.355 8.355 8.125 0.230 25645 185 1 . 1 1 134 134 ILE N N 134 118.356 118.356 124.187 -5.831 25645 186 1 . 1 1 134 134 ILE CA C 134 57.630 57.630 60.370 -2.740 25645 187 1 . 1 1 134 134 ILE CB C 134 41.527 41.527 40.592 0.935 25645 188 1 . 1 1 134 134 ILE H H 134 8.949 8.949 8.899 0.050 25645 189 1 . 1 1 135 135 SER N N 135 123.022 123.022 123.055 -0.033 25645 190 1 . 1 1 135 135 SER CA C 135 56.890 56.890 57.440 -0.550 25645 191 1 . 1 1 135 135 SER CB C 135 65.803 65.803 64.901 0.902 25645 192 1 . 1 1 136 136 ARG N N 136 114.983 114.983 121.523 -6.540 25645 193 1 . 1 1 136 136 ARG CA C 136 55.300 55.300 54.797 0.503 25645 194 1 . 1 1 136 136 ARG CB C 136 36.804 36.804 33.108 3.696 25645 195 1 . 1 1 136 136 ARG H H 136 5.916 5.916 8.528 -2.612 25645 196 1 . 1 1 137 137 CYS N N 137 117.966 117.966 117.535 0.431 25645 197 1 . 1 1 137 137 CYS CA C 137 55.918 55.918 56.634 -0.716 25645 198 1 . 1 1 137 137 CYS CB C 137 41.577 41.577 28.988 12.589 25645 199 1 . 1 1 137 137 CYS H H 137 9.616 9.616 8.265 1.351 25645 200 1 . 1 1 138 138 PHE N N 138 120.959 120.959 125.335 -4.376 25645 201 1 . 1 1 138 138 PHE CA C 138 57.921 57.921 57.442 0.479 25645 202 1 . 1 1 138 138 PHE CB C 138 40.796 40.796 40.953 -0.157 25645 203 1 . 1 1 138 138 PHE H H 138 9.306 9.306 9.586 -0.280 25645 204 1 . 1 1 139 139 THR N N 139 115.870 115.870 119.564 -3.694 25645 205 1 . 1 1 139 139 THR CA C 139 62.202 62.202 61.238 0.964 25645 206 1 . 1 1 139 139 THR CB C 139 71.765 71.765 69.876 1.889 25645 207 1 . 1 1 139 139 THR H H 139 8.336 8.336 8.460 -0.124 25645 208 1 . 1 1 140 140 ARG N N 140 129.223 129.223 126.699 2.524 25645 209 1 . 1 1 140 140 ARG CA C 140 53.286 53.286 55.227 -1.941 25645 210 1 . 1 1 140 140 ARG CB C 140 32.505 32.505 32.634 -0.129 25645 211 1 . 1 1 140 140 ARG H H 140 9.858 9.858 8.311 1.547 25645 212 1 . 1 1 141 141 LYS N N 141 123.968 123.968 125.204 -1.236 25645 213 1 . 1 1 141 141 LYS HA H 141 5.677 5.677 5.020 0.657 25645 214 1 . 1 1 141 141 LYS CA C 141 53.931 53.931 55.931 -2.000 25645 215 1 . 1 1 141 141 LYS CB C 141 35.675 35.675 34.825 0.850 25645 216 1 . 1 1 141 141 LYS H H 141 8.788 8.788 8.765 0.023 25645 217 1 . 1 1 142 142 TYR N N 142 121.120 121.120 127.642 -6.522 25645 218 1 . 1 1 142 142 TYR CA C 142 55.983 55.983 55.455 0.528 25645 219 1 . 1 1 142 142 TYR CB C 142 41.189 41.189 39.294 1.895 25645 220 1 . 1 1 142 142 TYR H H 142 9.335 9.335 9.639 -0.303 25645 221 1 . 1 1 143 143 THR N N 143 119.260 119.260 121.767 -2.507 25645 222 1 . 1 1 143 143 THR CA C 143 62.091 62.091 62.574 -0.483 25645 223 1 . 1 1 143 143 THR CB C 143 68.728 68.728 68.376 0.352 25645 224 1 . 1 1 143 143 THR H H 143 8.907 8.907 8.707 0.200 25645 225 1 . 1 1 144 144 LEU N N 144 128.655 128.655 128.427 0.228 25645 226 1 . 1 1 144 144 LEU CA C 144 52.057 52.057 51.617 0.440 25645 227 1 . 1 1 144 144 LEU CB C 144 40.611 40.611 42.810 -2.199 25645 228 1 . 1 1 144 144 LEU H H 144 8.190 8.190 8.086 0.104 25645 229 1 . 1 1 146 146 PRO CA C 146 62.697 62.697 63.686 -0.989 25645 230 1 . 1 1 146 146 PRO CB C 146 30.337 30.337 30.196 0.141 25645 231 1 . 1 1 147 147 GLY N N 147 109.243 109.243 106.573 2.670 25645 232 1 . 1 1 147 147 GLY CA C 147 44.659 44.659 45.505 -0.845 25645 233 1 . 1 1 147 147 GLY H H 147 8.473 8.473 7.816 0.657 25645 234 1 . 1 1 148 148 VAL N N 148 120.323 120.323 122.839 -2.516 25645 235 1 . 1 1 148 148 VAL HA H 148 3.867 3.867 3.846 0.022 25645 236 1 . 1 1 148 148 VAL CA C 148 62.132 62.132 62.609 -0.477 25645 237 1 . 1 1 148 148 VAL CB C 148 30.798 30.798 32.733 -1.935 25645 238 1 . 1 1 148 148 VAL H H 148 7.020 7.020 7.584 -0.564 25645 239 1 . 1 1 149 149 ASP N N 149 130.411 130.411 127.333 3.078 25645 240 1 . 1 1 149 149 ASP CA C 149 49.931 49.931 53.160 -3.229 25645 241 1 . 1 1 149 149 ASP CB C 149 40.925 40.925 41.712 -0.787 25645 242 1 . 1 1 149 149 ASP H H 149 8.798 8.798 8.398 0.400 25645 243 1 . 1 1 150 150 PRO HA H 150 4.039 4.039 4.446 -0.407 25645 244 1 . 1 1 150 150 PRO CA C 150 64.379 64.379 64.313 0.066 25645 245 1 . 1 1 150 150 PRO CB C 150 31.158 31.158 32.408 -1.250 25645 246 1 . 1 1 151 151 THR N N 151 108.501 108.501 109.906 -1.405 25645 247 1 . 1 1 151 151 THR CA C 151 63.540 63.540 63.592 -0.052 25645 248 1 . 1 1 151 151 THR CB C 151 68.784 68.784 69.070 -0.286 25645 249 1 . 1 1 151 151 THR H H 151 8.295 8.295 8.226 0.069 25645 250 1 . 1 1 152 152 GLN N N 152 119.655 119.655 119.776 -0.121 25645 251 1 . 1 1 152 152 GLN HA H 152 4.433 4.433 4.462 -0.029 25645 252 1 . 1 1 152 152 GLN CA C 152 54.247 54.247 55.700 -1.453 25645 253 1 . 1 1 152 152 GLN CB C 152 28.118 28.118 29.893 -1.775 25645 254 1 . 1 1 153 153 VAL N N 153 120.424 120.424 121.291 -0.867 25645 255 1 . 1 1 153 153 VAL HA H 153 4.584 4.584 4.131 0.453 25645 256 1 . 1 1 153 153 VAL CA C 153 62.129 62.129 62.195 -0.066 25645 257 1 . 1 1 153 153 VAL CB C 153 30.632 30.632 31.267 -0.635 25645 258 1 . 1 1 153 153 VAL H H 153 6.881 6.881 7.740 -0.859 25645 259 1 . 1 1 154 154 SER N N 154 124.948 124.948 123.994 0.954 25645 260 1 . 1 1 154 154 SER CA C 154 56.292 56.292 57.360 -1.068 25645 261 1 . 1 1 154 154 SER CB C 154 66.028 66.028 64.632 1.396 25645 262 1 . 1 1 154 154 SER H H 154 9.507 9.507 8.300 1.207 25645 263 1 . 1 1 155 155 SER N N 155 114.211 114.211 115.455 -1.244 25645 264 1 . 1 1 155 155 SER CA C 155 56.407 56.407 57.435 -1.028 25645 265 1 . 1 1 155 155 SER CB C 155 66.880 66.880 66.406 0.474 25645 266 1 . 1 1 155 155 SER H H 155 8.390 8.390 8.163 0.227 25645 267 1 . 1 1 156 156 SER N N 156 114.400 114.400 119.308 -4.908 25645 268 1 . 1 1 156 156 SER CA C 156 57.035 57.035 57.586 -0.551 25645 269 1 . 1 1 156 156 SER CB C 156 65.136 65.136 64.999 0.138 25645 270 1 . 1 1 156 156 SER H H 156 8.679 8.679 8.987 -0.308 25645 271 1 . 1 1 157 157 LEU N N 157 127.132 127.132 124.836 2.296 25645 272 1 . 1 1 157 157 LEU CA C 157 52.943 52.943 53.760 -0.817 25645 273 1 . 1 1 157 157 LEU CB C 157 43.606 43.606 45.610 -2.004 25645 274 1 . 1 1 157 157 LEU H H 157 8.623 8.623 8.454 0.169 25645 275 1 . 1 1 158 158 SER N N 158 124.449 124.449 120.024 4.425 25645 276 1 . 1 1 158 158 SER CA C 158 55.551 55.551 54.699 0.852 25645 277 1 . 1 1 158 158 SER CB C 158 63.266 63.266 64.957 -1.691 25645 278 1 . 1 1 158 158 SER H H 158 8.926 8.926 8.238 0.688 25645 279 1 . 1 1 159 159 PRO CA C 159 64.391 64.391 64.890 -0.499 25645 280 1 . 1 1 159 159 PRO CB C 159 30.274 30.274 31.844 -1.570 25645 281 1 . 1 1 160 160 GLU N N 160 113.862 113.862 115.531 -1.669 25645 282 1 . 1 1 160 160 GLU HA H 160 4.315 4.315 3.913 0.402 25645 283 1 . 1 1 160 160 GLU CA C 160 56.071 56.071 55.916 0.155 25645 284 1 . 1 1 160 160 GLU CB C 160 28.031 28.031 28.213 -0.182 25645 285 1 . 1 1 160 160 GLU H H 160 7.884 7.884 8.145 -0.261 25645 286 1 . 1 1 161 161 GLY N N 161 108.198 108.198 108.408 -0.210 25645 287 1 . 1 1 161 161 GLY CA C 161 45.836 45.836 45.833 0.003 25645 288 1 . 1 1 161 161 GLY H H 161 8.093 8.093 8.125 -0.032 25645 289 1 . 1 1 162 162 THR N N 162 113.714 113.714 115.124 -1.410 25645 290 1 . 1 1 162 162 THR CA C 162 61.051 61.051 61.091 -0.040 25645 291 1 . 1 1 162 162 THR CB C 162 68.924 68.924 69.162 -0.238 25645 292 1 . 1 1 162 162 THR H H 162 7.436 7.436 7.453 -0.018 25645 293 1 . 1 1 163 163 LEU N N 163 106.660 106.660 131.746 -25.086 25645 294 1 . 1 1 163 163 LEU CA C 163 53.400 53.400 52.573 0.827 25645 295 1 . 1 1 163 163 LEU CB C 163 43.882 43.882 43.503 0.379 25645 296 1 . 1 1 163 163 LEU H H 163 9.571 9.571 8.479 1.092 25645 297 1 . 1 1 164 164 THR N N 164 123.931 123.931 121.537 2.394 25645 298 1 . 1 1 164 164 THR CA C 164 61.246 61.246 60.576 0.670 25645 299 1 . 1 1 164 164 THR CB C 164 70.034 70.034 69.427 0.607 25645 300 1 . 1 1 164 164 THR H H 164 9.165 9.165 9.114 0.051 25645 301 1 . 1 1 165 165 VAL N N 165 128.872 128.872 122.034 6.839 25645 302 1 . 1 1 165 165 VAL HA H 165 4.887 4.887 4.957 -0.070 25645 303 1 . 1 1 165 165 VAL CA C 165 60.037 60.037 59.588 0.449 25645 304 1 . 1 1 165 165 VAL CB C 165 32.397 32.397 33.125 -0.728 25645 305 1 . 1 1 165 165 VAL H H 165 8.892 8.892 9.208 -0.316 25645 306 1 . 1 1 166 166 GLU N N 166 122.017 122.017 127.492 -5.475 25645 307 1 . 1 1 166 166 GLU HA H 166 5.976 5.976 5.551 0.425 25645 308 1 . 1 1 166 166 GLU CA C 166 53.604 53.604 54.189 -0.586 25645 309 1 . 1 1 166 166 GLU CB C 166 34.427 34.427 32.039 2.388 25645 310 1 . 1 1 166 166 GLU H H 166 8.973 8.973 8.404 0.569 25645 311 1 . 1 1 167 167 ALA N N 167 121.099 121.099 124.662 -3.563 25645 312 1 . 1 1 167 167 ALA CA C 167 49.696 49.696 50.576 -0.880 25645 313 1 . 1 1 167 167 ALA CB C 167 21.689 21.689 21.800 -0.111 25645 314 1 . 1 1 167 167 ALA H H 167 9.464 9.464 8.922 0.542 25645 315 1 . 1 1 168 168 PRO HA H 168 4.644 4.644 5.180 -0.536 25645 316 1 . 1 1 168 168 PRO CA C 168 62.139 62.139 62.379 -0.240 25645 317 1 . 1 1 168 168 PRO CB C 168 30.564 30.564 31.236 -0.672 25645 318 1 . 1 1 169 169 MET N N 169 120.747 120.747 122.710 -1.962 25645 319 1 . 1 1 169 169 MET CA C 169 51.702 51.702 52.252 -0.551 25645 320 1 . 1 1 169 169 MET CB C 169 31.123 31.123 32.798 -1.675 25645 321 1 . 1 1 169 169 MET H H 169 7.726 7.726 7.875 -0.149 25645 322 1 . 1 1 170 170 PRO HA H 170 4.401 4.401 4.382 0.019 25645 323 1 . 1 1 170 170 PRO CA C 170 62.148 62.148 62.597 -0.449 25645 324 1 . 1 1 170 170 PRO CB C 170 30.765 30.765 31.011 -0.246 25645 325 1 . 1 1 171 171 LYS N N 171 123.033 123.033 125.092 -2.059 25645 326 1 . 1 1 171 171 LYS HA H 171 4.300 4.300 4.068 0.232 25645 327 1 . 1 1 171 171 LYS CA C 171 55.621 55.621 56.081 -0.460 25645 328 1 . 1 1 171 171 LYS CB C 171 31.856 31.856 31.478 0.378 25645 329 1 . 1 1 171 171 LYS H H 171 8.296 8.296 8.223 0.073 25645 330 1 . 1 1 172 172 LEU N N 172 124.281 124.281 124.863 -0.582 25645 331 1 . 1 1 172 172 LEU CA C 172 54.400 54.400 55.592 -1.192 25645 332 1 . 1 1 172 172 LEU CB C 172 41.389 41.389 41.871 -0.483 25645 333 1 . 1 1 172 172 LEU H H 172 8.262 8.262 8.349 -0.087 25645 334 1 . 1 1 173 173 ALA N N 173 125.260 125.260 124.730 0.530 25645 335 1 . 1 1 173 173 ALA CA C 173 51.903 51.903 52.686 -0.783 25645 336 1 . 1 1 173 173 ALA CB C 173 17.894 17.894 17.749 0.145 25645 337 1 . 1 1 173 173 ALA H H 173 8.343 8.343 8.505 -0.162 25645 338 1 . 1 1 174 174 THR N N 174 112.925 112.925 115.391 -2.466 25645 339 1 . 1 1 174 174 THR CA C 174 61.562 61.562 62.498 -0.936 25645 340 1 . 1 1 174 174 THR CB C 174 69.156 69.156 68.415 0.741 25645 341 1 . 1 1 174 174 THR H H 174 7.990 7.990 8.282 -0.292 25645 342 1 . 1 1 175 175 GLN HA H 175 4.425 4.425 4.325 0.100 25645 343 1 . 1 1 175 175 GLN CA C 175 55.430 55.430 56.024 -0.594 25645 344 1 . 1 1 175 175 GLN CB C 175 28.460 28.460 28.682 -0.222 25645 stop_ save_