data_19355 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19355 _Entry.PDB_ID 2MAI 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 19355 _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 2 2 LEU N N 2 118.463 118.463 119.877 -1.414 19355 2 1 1 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.973 -0.446 19355 3 1 1 . 1 1 2 2 LEU CA C 2 53.328 53.328 54.163 -0.835 19355 4 1 1 . 1 1 2 2 LEU CB C 2 43.051 43.051 43.856 -0.805 19355 5 1 1 . 1 1 2 2 LEU H H 2 8.393 8.393 8.063 0.330 19355 6 1 1 . 1 1 3 3 ARG N N 3 116.545 116.545 120.647 -4.102 19355 7 1 1 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.358 0.118 19355 8 1 1 . 1 1 3 3 ARG C C 3 173.577 173.577 178.590 -5.013 19355 9 1 1 . 1 1 3 3 ARG CA C 3 54.496 54.496 58.360 -3.864 19355 10 1 1 . 1 1 3 3 ARG CB C 3 28.515 28.515 30.806 -2.291 19355 11 1 1 . 1 1 3 3 ARG H H 3 7.860 7.860 8.396 -0.536 19355 12 1 1 . 1 1 4 4 ARG N N 4 114.271 114.271 119.701 -5.430 19355 13 1 1 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.269 0.126 19355 14 1 1 . 1 1 4 4 ARG CA C 4 57.965 57.965 57.761 0.204 19355 15 1 1 . 1 1 4 4 ARG CB C 4 34.422 34.422 29.776 4.646 19355 16 1 1 . 1 1 4 4 ARG H H 4 7.140 7.140 8.359 -1.219 19355 17 1 1 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.079 0.328 19355 18 1 1 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.394 -3.635 19355 19 1 1 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.639 4.252 19355 20 1 1 . 1 1 6 6 PHE N N 6 114.237 114.237 114.948 -0.711 19355 21 1 1 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.517 -0.538 19355 22 1 1 . 1 1 6 6 PHE C C 6 174.252 174.252 173.575 0.677 19355 23 1 1 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.639 2.413 19355 24 1 1 . 1 1 6 6 PHE CB C 6 36.777 36.777 40.877 -4.100 19355 25 1 1 . 1 1 6 6 PHE H H 6 8.414 8.414 7.602 0.812 19355 26 1 1 . 1 1 7 7 ALA N N 7 123.916 123.916 128.111 -4.195 19355 27 1 1 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.826 -0.581 19355 28 1 1 . 1 1 7 7 ALA C C 7 178.138 178.138 177.248 0.890 19355 29 1 1 . 1 1 7 7 ALA CA C 7 53.922 53.922 51.617 2.305 19355 30 1 1 . 1 1 7 7 ALA CB C 7 20.536 20.536 19.734 0.802 19355 31 1 1 . 1 1 7 7 ALA H H 7 8.647 8.647 8.332 0.315 19355 32 1 1 . 1 1 8 8 ASN N N 8 118.947 118.947 122.192 -3.245 19355 33 1 1 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.846 -0.201 19355 34 1 1 . 1 1 8 8 ASN C C 8 174.376 174.376 176.173 -1.797 19355 35 1 1 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.913 -0.859 19355 36 1 1 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.496 0.016 19355 37 1 1 . 1 1 8 8 ASN H H 8 6.983 6.983 8.596 -1.613 19355 38 1 1 . 1 1 9 9 GLN N N 9 114.393 114.393 123.057 -8.664 19355 39 1 1 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.133 -0.544 19355 40 1 1 . 1 1 9 9 GLN C C 9 174.086 174.086 177.724 -3.638 19355 41 1 1 . 1 1 9 9 GLN CA C 9 59.380 59.380 58.038 1.342 19355 42 1 1 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.874 0.695 19355 43 1 1 . 1 1 9 9 GLN H H 9 8.315 8.315 8.619 -0.304 19355 44 1 1 . 1 1 10 10 LEU N N 10 110.452 110.452 119.132 -8.680 19355 45 1 1 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.193 0.208 19355 46 1 1 . 1 1 10 10 LEU C C 10 174.539 174.539 178.038 -3.499 19355 47 1 1 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.346 -0.130 19355 48 1 1 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.099 2.996 19355 49 1 1 . 1 1 10 10 LEU H H 10 7.719 7.719 7.896 -0.177 19355 50 1 1 . 1 1 11 11 VAL N N 11 111.103 111.103 116.739 -5.636 19355 51 1 1 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.279 0.114 19355 52 1 1 . 1 1 11 11 VAL C C 11 174.454 174.454 174.308 0.146 19355 53 1 1 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.633 -1.495 19355 54 1 1 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.314 1.693 19355 55 1 1 . 1 1 11 11 VAL H H 11 7.717 7.717 7.612 0.105 19355 56 1 1 . 1 1 12 12 GLY N N 12 115.582 115.582 111.304 4.278 19355 57 1 1 . 1 1 12 12 GLY C C 12 174.551 174.551 173.607 0.944 19355 58 1 1 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.718 -1.545 19355 59 1 1 . 1 1 12 12 GLY H H 12 8.980 8.980 8.268 0.712 19355 60 1 1 . 1 1 13 13 ARG N N 13 119.199 119.199 120.170 -0.971 19355 61 1 1 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.113 1.054 19355 62 1 1 . 1 1 13 13 ARG CA C 13 54.347 54.347 57.135 -2.788 19355 63 1 1 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.415 5.780 19355 64 1 1 . 1 1 13 13 ARG H H 13 7.082 7.082 8.137 -1.055 19355 65 1 1 . 1 1 14 14 ARG C C 14 175.104 175.104 175.944 -0.840 19355 66 1 1 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.517 2.234 19355 67 1 2 . 1 1 2 2 LEU N N 2 118.463 118.463 118.183 0.280 19355 68 1 2 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.942 -0.414 19355 69 1 2 . 1 1 2 2 LEU CA C 2 53.328 53.328 54.033 -0.705 19355 70 1 2 . 1 1 2 2 LEU CB C 2 43.051 43.051 46.368 -3.317 19355 71 1 2 . 1 1 2 2 LEU H H 2 8.393 8.393 8.210 0.183 19355 72 1 2 . 1 1 3 3 ARG N N 3 116.545 116.545 122.301 -5.756 19355 73 1 2 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.476 -0.000 19355 74 1 2 . 1 1 3 3 ARG C C 3 173.577 173.577 176.876 -3.299 19355 75 1 2 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.585 -3.089 19355 76 1 2 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.337 -2.822 19355 77 1 2 . 1 1 3 3 ARG H H 3 7.860 7.860 8.751 -0.891 19355 78 1 2 . 1 1 4 4 ARG N N 4 114.271 114.271 118.404 -4.133 19355 79 1 2 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.228 0.167 19355 80 1 2 . 1 1 4 4 ARG CA C 4 57.965 57.965 57.940 0.025 19355 81 1 2 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.351 4.071 19355 82 1 2 . 1 1 4 4 ARG H H 4 7.140 7.140 8.207 -1.067 19355 83 1 2 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.084 0.323 19355 84 1 2 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.329 -3.570 19355 85 1 2 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.592 4.298 19355 86 1 2 . 1 1 6 6 PHE N N 6 114.237 114.237 114.091 0.146 19355 87 1 2 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.500 -0.521 19355 88 1 2 . 1 1 6 6 PHE C C 6 174.252 174.252 173.492 0.760 19355 89 1 2 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.274 2.778 19355 90 1 2 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.303 -4.526 19355 91 1 2 . 1 1 6 6 PHE H H 6 8.414 8.414 7.580 0.834 19355 92 1 2 . 1 1 7 7 ALA N N 7 123.916 123.916 123.473 0.443 19355 93 1 2 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.577 -0.332 19355 94 1 2 . 1 1 7 7 ALA C C 7 178.138 178.138 175.660 2.478 19355 95 1 2 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.352 3.571 19355 96 1 2 . 1 1 7 7 ALA CB C 7 20.536 20.536 21.529 -0.993 19355 97 1 2 . 1 1 7 7 ALA H H 7 8.647 8.647 7.182 1.465 19355 98 1 2 . 1 1 8 8 ASN N N 8 118.947 118.947 120.844 -1.897 19355 99 1 2 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.904 -0.259 19355 100 1 2 . 1 1 8 8 ASN C C 8 174.376 174.376 175.814 -1.438 19355 101 1 2 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.416 -0.362 19355 102 1 2 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.559 -0.047 19355 103 1 2 . 1 1 8 8 ASN H H 8 6.983 6.983 8.678 -1.695 19355 104 1 2 . 1 1 9 9 GLN N N 9 114.393 114.393 123.059 -8.666 19355 105 1 2 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.085 -0.496 19355 106 1 2 . 1 1 9 9 GLN C C 9 174.086 174.086 177.745 -3.659 19355 107 1 2 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.810 1.570 19355 108 1 2 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.840 0.729 19355 109 1 2 . 1 1 9 9 GLN H H 9 8.315 8.315 8.575 -0.260 19355 110 1 2 . 1 1 10 10 LEU N N 10 110.452 110.452 119.288 -8.836 19355 111 1 2 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.160 0.241 19355 112 1 2 . 1 1 10 10 LEU C C 10 174.539 174.539 178.045 -3.506 19355 113 1 2 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.453 -0.237 19355 114 1 2 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.037 3.058 19355 115 1 2 . 1 1 10 10 LEU H H 10 7.719 7.719 7.939 -0.220 19355 116 1 2 . 1 1 11 11 VAL N N 11 111.103 111.103 117.603 -6.500 19355 117 1 2 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.264 0.129 19355 118 1 2 . 1 1 11 11 VAL C C 11 174.454 174.454 174.116 0.338 19355 119 1 2 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.686 -1.548 19355 120 1 2 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.495 1.512 19355 121 1 2 . 1 1 11 11 VAL H H 11 7.717 7.717 7.563 0.154 19355 122 1 2 . 1 1 12 12 GLY N N 12 115.582 115.582 112.160 3.422 19355 123 1 2 . 1 1 12 12 GLY C C 12 174.551 174.551 173.180 1.371 19355 124 1 2 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.437 -1.264 19355 125 1 2 . 1 1 12 12 GLY H H 12 8.980 8.980 8.070 0.910 19355 126 1 2 . 1 1 13 13 ARG N N 13 119.199 119.199 118.681 0.518 19355 127 1 2 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.070 1.097 19355 128 1 2 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.653 -2.305 19355 129 1 2 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.982 5.213 19355 130 1 2 . 1 1 13 13 ARG H H 13 7.082 7.082 8.483 -1.401 19355 131 1 2 . 1 1 14 14 ARG C C 14 175.104 175.104 175.483 -0.379 19355 132 1 2 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.803 1.948 19355 133 1 3 . 1 1 2 2 LEU N N 2 118.463 118.463 118.552 -0.089 19355 134 1 3 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.718 -0.190 19355 135 1 3 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.965 -0.637 19355 136 1 3 . 1 1 2 2 LEU CB C 2 43.051 43.051 45.553 -2.502 19355 137 1 3 . 1 1 2 2 LEU H H 2 8.393 8.393 7.998 0.395 19355 138 1 3 . 1 1 3 3 ARG N N 3 116.545 116.545 121.785 -5.240 19355 139 1 3 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.377 0.099 19355 140 1 3 . 1 1 3 3 ARG C C 3 173.577 173.577 177.289 -3.712 19355 141 1 3 . 1 1 3 3 ARG CA C 3 54.496 54.496 58.502 -4.006 19355 142 1 3 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.031 -2.516 19355 143 1 3 . 1 1 3 3 ARG H H 3 7.860 7.860 8.326 -0.466 19355 144 1 3 . 1 1 4 4 ARG N N 4 114.271 114.271 117.764 -3.493 19355 145 1 3 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.313 0.082 19355 146 1 3 . 1 1 4 4 ARG CA C 4 57.965 57.965 57.283 0.682 19355 147 1 3 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.225 4.197 19355 148 1 3 . 1 1 4 4 ARG H H 4 7.140 7.140 8.039 -0.899 19355 149 1 3 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.095 0.312 19355 150 1 3 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.347 -3.588 19355 151 1 3 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.567 4.323 19355 152 1 3 . 1 1 6 6 PHE N N 6 114.237 114.237 114.335 -0.098 19355 153 1 3 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.496 -0.517 19355 154 1 3 . 1 1 6 6 PHE C C 6 174.252 174.252 173.492 0.760 19355 155 1 3 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.333 2.720 19355 156 1 3 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.428 -4.651 19355 157 1 3 . 1 1 6 6 PHE H H 6 8.414 8.414 7.516 0.898 19355 158 1 3 . 1 1 7 7 ALA N N 7 123.916 123.916 123.737 0.179 19355 159 1 3 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.584 -0.339 19355 160 1 3 . 1 1 7 7 ALA C C 7 178.138 178.138 175.540 2.598 19355 161 1 3 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.349 3.573 19355 162 1 3 . 1 1 7 7 ALA CB C 7 20.536 20.536 21.613 -1.077 19355 163 1 3 . 1 1 7 7 ALA H H 7 8.647 8.647 7.199 1.448 19355 164 1 3 . 1 1 8 8 ASN N N 8 118.947 118.947 120.752 -1.805 19355 165 1 3 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.911 -0.266 19355 166 1 3 . 1 1 8 8 ASN C C 8 174.376 174.376 175.909 -1.533 19355 167 1 3 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.409 -0.355 19355 168 1 3 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.761 -0.249 19355 169 1 3 . 1 1 8 8 ASN H H 8 6.983 6.983 8.673 -1.690 19355 170 1 3 . 1 1 9 9 GLN N N 9 114.393 114.393 123.214 -8.821 19355 171 1 3 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.080 -0.491 19355 172 1 3 . 1 1 9 9 GLN C C 9 174.086 174.086 177.761 -3.675 19355 173 1 3 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.828 1.552 19355 174 1 3 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.836 0.733 19355 175 1 3 . 1 1 9 9 GLN H H 9 8.315 8.315 8.565 -0.250 19355 176 1 3 . 1 1 10 10 LEU N N 10 110.452 110.452 119.260 -8.808 19355 177 1 3 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.156 0.245 19355 178 1 3 . 1 1 10 10 LEU C C 10 174.539 174.539 178.058 -3.519 19355 179 1 3 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.483 -0.267 19355 180 1 3 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.055 3.040 19355 181 1 3 . 1 1 10 10 LEU H H 10 7.719 7.719 7.971 -0.252 19355 182 1 3 . 1 1 11 11 VAL N N 11 111.103 111.103 116.712 -5.609 19355 183 1 3 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.238 0.155 19355 184 1 3 . 1 1 11 11 VAL C C 11 174.454 174.454 174.105 0.349 19355 185 1 3 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.457 -1.319 19355 186 1 3 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.604 1.403 19355 187 1 3 . 1 1 11 11 VAL H H 11 7.717 7.717 7.541 0.176 19355 188 1 3 . 1 1 12 12 GLY N N 12 115.582 115.582 110.353 5.229 19355 189 1 3 . 1 1 12 12 GLY C C 12 174.551 174.551 173.603 0.948 19355 190 1 3 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.154 -0.981 19355 191 1 3 . 1 1 12 12 GLY H H 12 8.980 8.980 8.102 0.878 19355 192 1 3 . 1 1 13 13 ARG N N 13 119.199 119.199 120.095 -0.896 19355 193 1 3 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.064 1.103 19355 194 1 3 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.727 -2.380 19355 195 1 3 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.549 5.646 19355 196 1 3 . 1 1 13 13 ARG H H 13 7.082 7.082 8.253 -1.171 19355 197 1 3 . 1 1 14 14 ARG C C 14 175.104 175.104 176.009 -0.905 19355 198 1 3 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.695 2.056 19355 199 1 4 . 1 1 2 2 LEU N N 2 118.463 118.463 120.028 -1.565 19355 200 1 4 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.901 -0.373 19355 201 1 4 . 1 1 2 2 LEU CA C 2 53.328 53.328 54.123 -0.795 19355 202 1 4 . 1 1 2 2 LEU CB C 2 43.051 43.051 43.944 -0.893 19355 203 1 4 . 1 1 2 2 LEU H H 2 8.393 8.393 8.250 0.143 19355 204 1 4 . 1 1 3 3 ARG N N 3 116.545 116.545 120.217 -3.672 19355 205 1 4 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.354 0.122 19355 206 1 4 . 1 1 3 3 ARG C C 3 173.577 173.577 177.436 -3.859 19355 207 1 4 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.346 -2.850 19355 208 1 4 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.218 -2.703 19355 209 1 4 . 1 1 3 3 ARG H H 3 7.860 7.860 7.893 -0.033 19355 210 1 4 . 1 1 4 4 ARG N N 4 114.271 114.271 118.792 -4.521 19355 211 1 4 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.172 0.223 19355 212 1 4 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.251 -0.286 19355 213 1 4 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.191 4.231 19355 214 1 4 . 1 1 4 4 ARG H H 4 7.140 7.140 8.179 -1.039 19355 215 1 4 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.096 0.311 19355 216 1 4 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.309 -3.550 19355 217 1 4 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.762 4.128 19355 218 1 4 . 1 1 6 6 PHE N N 6 114.237 114.237 114.969 -0.732 19355 219 1 4 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.527 -0.548 19355 220 1 4 . 1 1 6 6 PHE C C 6 174.252 174.252 173.108 1.144 19355 221 1 4 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.020 3.032 19355 222 1 4 . 1 1 6 6 PHE CB C 6 36.777 36.777 40.780 -4.003 19355 223 1 4 . 1 1 6 6 PHE H H 6 8.414 8.414 7.518 0.896 19355 224 1 4 . 1 1 7 7 ALA N N 7 123.916 123.916 128.256 -4.340 19355 225 1 4 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.610 -0.365 19355 226 1 4 . 1 1 7 7 ALA C C 7 178.138 178.138 176.084 2.054 19355 227 1 4 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.889 3.033 19355 228 1 4 . 1 1 7 7 ALA CB C 7 20.536 20.536 20.048 0.488 19355 229 1 4 . 1 1 7 7 ALA H H 7 8.647 8.647 8.081 0.566 19355 230 1 4 . 1 1 8 8 ASN N N 8 118.947 118.947 119.888 -0.941 19355 231 1 4 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.574 0.071 19355 232 1 4 . 1 1 8 8 ASN C C 8 174.376 174.376 175.489 -1.113 19355 233 1 4 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.083 -0.029 19355 234 1 4 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.832 -0.320 19355 235 1 4 . 1 1 8 8 ASN H H 8 6.983 6.983 8.404 -1.421 19355 236 1 4 . 1 1 9 9 GLN N N 9 114.393 114.393 123.144 -8.751 19355 237 1 4 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.054 -0.465 19355 238 1 4 . 1 1 9 9 GLN C C 9 174.086 174.086 177.759 -3.673 19355 239 1 4 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.826 1.554 19355 240 1 4 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.783 0.786 19355 241 1 4 . 1 1 9 9 GLN H H 9 8.315 8.315 8.500 -0.185 19355 242 1 4 . 1 1 10 10 LEU N N 10 110.452 110.452 119.213 -8.761 19355 243 1 4 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.142 0.259 19355 244 1 4 . 1 1 10 10 LEU C C 10 174.539 174.539 178.034 -3.495 19355 245 1 4 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.494 -0.278 19355 246 1 4 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.015 3.080 19355 247 1 4 . 1 1 10 10 LEU H H 10 7.719 7.719 7.922 -0.203 19355 248 1 4 . 1 1 11 11 VAL N N 11 111.103 111.103 117.047 -5.944 19355 249 1 4 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.232 0.161 19355 250 1 4 . 1 1 11 11 VAL C C 11 174.454 174.454 174.035 0.419 19355 251 1 4 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.446 -1.308 19355 252 1 4 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.444 1.563 19355 253 1 4 . 1 1 11 11 VAL H H 11 7.717 7.717 7.531 0.186 19355 254 1 4 . 1 1 12 12 GLY N N 12 115.582 115.582 110.764 4.818 19355 255 1 4 . 1 1 12 12 GLY C C 12 174.551 174.551 173.489 1.062 19355 256 1 4 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.392 -1.219 19355 257 1 4 . 1 1 12 12 GLY H H 12 8.980 8.980 8.090 0.890 19355 258 1 4 . 1 1 13 13 ARG N N 13 119.199 119.199 120.055 -0.856 19355 259 1 4 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.057 1.110 19355 260 1 4 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.721 -2.374 19355 261 1 4 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.129 6.066 19355 262 1 4 . 1 1 13 13 ARG H H 13 7.082 7.082 8.207 -1.125 19355 263 1 4 . 1 1 14 14 ARG C C 14 175.104 175.104 175.549 -0.445 19355 264 1 4 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.601 2.150 19355 265 1 5 . 1 1 2 2 LEU N N 2 118.463 118.463 120.279 -1.816 19355 266 1 5 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.760 -0.232 19355 267 1 5 . 1 1 2 2 LEU CA C 2 53.328 53.328 55.458 -2.130 19355 268 1 5 . 1 1 2 2 LEU CB C 2 43.051 43.051 43.205 -0.154 19355 269 1 5 . 1 1 2 2 LEU H H 2 8.393 8.393 8.004 0.389 19355 270 1 5 . 1 1 3 3 ARG N N 3 116.545 116.545 119.875 -3.330 19355 271 1 5 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.402 0.073 19355 272 1 5 . 1 1 3 3 ARG C C 3 173.577 173.577 177.721 -4.144 19355 273 1 5 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.851 -3.355 19355 274 1 5 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.246 -2.731 19355 275 1 5 . 1 1 3 3 ARG H H 3 7.860 7.860 8.560 -0.700 19355 276 1 5 . 1 1 4 4 ARG N N 4 114.271 114.271 117.999 -3.728 19355 277 1 5 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.251 0.144 19355 278 1 5 . 1 1 4 4 ARG CA C 4 57.965 57.965 57.667 0.298 19355 279 1 5 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.347 4.075 19355 280 1 5 . 1 1 4 4 ARG H H 4 7.140 7.140 8.087 -0.947 19355 281 1 5 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.082 0.325 19355 282 1 5 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.538 -3.779 19355 283 1 5 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.706 4.184 19355 284 1 5 . 1 1 6 6 PHE N N 6 114.237 114.237 114.808 -0.571 19355 285 1 5 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.513 -0.534 19355 286 1 5 . 1 1 6 6 PHE C C 6 174.252 174.252 173.688 0.564 19355 287 1 5 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.650 2.402 19355 288 1 5 . 1 1 6 6 PHE CB C 6 36.777 36.777 40.776 -3.999 19355 289 1 5 . 1 1 6 6 PHE H H 6 8.414 8.414 7.646 0.768 19355 290 1 5 . 1 1 7 7 ALA N N 7 123.916 123.916 127.490 -3.574 19355 291 1 5 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.609 -0.364 19355 292 1 5 . 1 1 7 7 ALA C C 7 178.138 178.138 177.278 0.860 19355 293 1 5 . 1 1 7 7 ALA CA C 7 53.922 53.922 51.879 2.043 19355 294 1 5 . 1 1 7 7 ALA CB C 7 20.536 20.536 19.664 0.872 19355 295 1 5 . 1 1 7 7 ALA H H 7 8.647 8.647 8.289 0.358 19355 296 1 5 . 1 1 8 8 ASN N N 8 118.947 118.947 121.876 -2.929 19355 297 1 5 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.806 -0.161 19355 298 1 5 . 1 1 8 8 ASN C C 8 174.376 174.376 176.145 -1.769 19355 299 1 5 . 1 1 8 8 ASN CA C 8 52.054 52.054 53.054 -1.000 19355 300 1 5 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.442 0.070 19355 301 1 5 . 1 1 8 8 ASN H H 8 6.983 6.983 8.665 -1.682 19355 302 1 5 . 1 1 9 9 GLN N N 9 114.393 114.393 123.017 -8.624 19355 303 1 5 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.136 -0.547 19355 304 1 5 . 1 1 9 9 GLN C C 9 174.086 174.086 177.677 -3.591 19355 305 1 5 . 1 1 9 9 GLN CA C 9 59.380 59.380 58.066 1.314 19355 306 1 5 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.882 0.687 19355 307 1 5 . 1 1 9 9 GLN H H 9 8.315 8.315 8.617 -0.302 19355 308 1 5 . 1 1 10 10 LEU N N 10 110.452 110.452 119.093 -8.641 19355 309 1 5 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.203 0.198 19355 310 1 5 . 1 1 10 10 LEU C C 10 174.539 174.539 178.009 -3.470 19355 311 1 5 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.272 -0.056 19355 312 1 5 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.136 2.959 19355 313 1 5 . 1 1 10 10 LEU H H 10 7.719 7.719 7.861 -0.142 19355 314 1 5 . 1 1 11 11 VAL N N 11 111.103 111.103 117.179 -6.076 19355 315 1 5 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.280 0.113 19355 316 1 5 . 1 1 11 11 VAL C C 11 174.454 174.454 174.277 0.177 19355 317 1 5 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.677 -1.539 19355 318 1 5 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.281 1.726 19355 319 1 5 . 1 1 11 11 VAL H H 11 7.717 7.717 7.613 0.104 19355 320 1 5 . 1 1 12 12 GLY N N 12 115.582 115.582 112.019 3.563 19355 321 1 5 . 1 1 12 12 GLY C C 12 174.551 174.551 173.480 1.071 19355 322 1 5 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.652 -1.479 19355 323 1 5 . 1 1 12 12 GLY H H 12 8.980 8.980 8.221 0.759 19355 324 1 5 . 1 1 13 13 ARG N N 13 119.199 119.199 120.759 -1.560 19355 325 1 5 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.064 1.103 19355 326 1 5 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.663 -2.316 19355 327 1 5 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.070 6.125 19355 328 1 5 . 1 1 13 13 ARG H H 13 7.082 7.082 8.271 -1.189 19355 329 1 5 . 1 1 14 14 ARG C C 14 175.104 175.104 175.606 -0.502 19355 330 1 5 . 1 1 14 14 ARG CB C 14 33.751 33.751 32.109 1.642 19355 331 1 6 . 1 1 2 2 LEU N N 2 118.463 118.463 118.889 -0.426 19355 332 1 6 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.763 -0.235 19355 333 1 6 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.611 -0.283 19355 334 1 6 . 1 1 2 2 LEU CB C 2 43.051 43.051 46.536 -3.485 19355 335 1 6 . 1 1 2 2 LEU H H 2 8.393 8.393 8.516 -0.123 19355 336 1 6 . 1 1 3 3 ARG N N 3 116.545 116.545 120.524 -3.979 19355 337 1 6 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.492 -0.016 19355 338 1 6 . 1 1 3 3 ARG C C 3 173.577 173.577 178.326 -4.749 19355 339 1 6 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.877 -3.381 19355 340 1 6 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.838 -3.323 19355 341 1 6 . 1 1 3 3 ARG H H 3 7.860 7.860 8.875 -1.015 19355 342 1 6 . 1 1 4 4 ARG N N 4 114.271 114.271 120.329 -6.058 19355 343 1 6 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.231 0.164 19355 344 1 6 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.363 -0.398 19355 345 1 6 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.228 4.194 19355 346 1 6 . 1 1 4 4 ARG H H 4 7.140 7.140 8.121 -0.981 19355 347 1 6 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.092 0.315 19355 348 1 6 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.328 -3.569 19355 349 1 6 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.621 4.269 19355 350 1 6 . 1 1 6 6 PHE N N 6 114.237 114.237 113.903 0.334 19355 351 1 6 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.468 -0.489 19355 352 1 6 . 1 1 6 6 PHE C C 6 174.252 174.252 173.532 0.720 19355 353 1 6 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.281 2.772 19355 354 1 6 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.442 -4.665 19355 355 1 6 . 1 1 6 6 PHE H H 6 8.414 8.414 7.592 0.822 19355 356 1 6 . 1 1 7 7 ALA N N 7 123.916 123.916 122.720 1.196 19355 357 1 6 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.474 -0.229 19355 358 1 6 . 1 1 7 7 ALA C C 7 178.138 178.138 176.093 2.045 19355 359 1 6 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.656 3.266 19355 360 1 6 . 1 1 7 7 ALA CB C 7 20.536 20.536 21.107 -0.571 19355 361 1 6 . 1 1 7 7 ALA H H 7 8.647 8.647 7.621 1.026 19355 362 1 6 . 1 1 8 8 ASN N N 8 118.947 118.947 120.024 -1.077 19355 363 1 6 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.933 -0.288 19355 364 1 6 . 1 1 8 8 ASN C C 8 174.376 174.376 176.230 -1.854 19355 365 1 6 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.334 -0.280 19355 366 1 6 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.628 -0.116 19355 367 1 6 . 1 1 8 8 ASN H H 8 6.983 6.983 8.683 -1.700 19355 368 1 6 . 1 1 9 9 GLN N N 9 114.393 114.393 122.973 -8.580 19355 369 1 6 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.082 -0.493 19355 370 1 6 . 1 1 9 9 GLN C C 9 174.086 174.086 177.465 -3.379 19355 371 1 6 . 1 1 9 9 GLN CA C 9 59.380 59.380 58.012 1.368 19355 372 1 6 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.851 0.718 19355 373 1 6 . 1 1 9 9 GLN H H 9 8.315 8.315 8.631 -0.316 19355 374 1 6 . 1 1 10 10 LEU N N 10 110.452 110.452 119.040 -8.588 19355 375 1 6 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.197 0.204 19355 376 1 6 . 1 1 10 10 LEU C C 10 174.539 174.539 177.975 -3.436 19355 377 1 6 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.214 0.002 19355 378 1 6 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.149 2.946 19355 379 1 6 . 1 1 10 10 LEU H H 10 7.719 7.719 7.891 -0.172 19355 380 1 6 . 1 1 11 11 VAL N N 11 111.103 111.103 116.627 -5.524 19355 381 1 6 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.212 0.181 19355 382 1 6 . 1 1 11 11 VAL C C 11 174.454 174.454 174.092 0.362 19355 383 1 6 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.787 -1.649 19355 384 1 6 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.311 1.696 19355 385 1 6 . 1 1 11 11 VAL H H 11 7.717 7.717 7.538 0.179 19355 386 1 6 . 1 1 12 12 GLY N N 12 115.582 115.582 111.634 3.948 19355 387 1 6 . 1 1 12 12 GLY C C 12 174.551 174.551 173.886 0.665 19355 388 1 6 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.493 -1.320 19355 389 1 6 . 1 1 12 12 GLY H H 12 8.980 8.980 8.113 0.867 19355 390 1 6 . 1 1 13 13 ARG N N 13 119.199 119.199 118.809 0.390 19355 391 1 6 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.080 1.087 19355 392 1 6 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.652 -2.305 19355 393 1 6 . 1 1 13 13 ARG CB C 13 33.195 33.195 28.945 4.250 19355 394 1 6 . 1 1 13 13 ARG H H 13 7.082 7.082 8.079 -0.997 19355 395 1 6 . 1 1 14 14 ARG C C 14 175.104 175.104 174.699 0.405 19355 396 1 6 . 1 1 14 14 ARG CB C 14 33.751 33.751 30.673 3.078 19355 397 1 7 . 1 1 2 2 LEU N N 2 118.463 118.463 118.438 0.025 19355 398 1 7 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.867 -0.339 19355 399 1 7 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.704 -0.376 19355 400 1 7 . 1 1 2 2 LEU CB C 2 43.051 43.051 45.237 -2.186 19355 401 1 7 . 1 1 2 2 LEU H H 2 8.393 8.393 8.285 0.108 19355 402 1 7 . 1 1 3 3 ARG N N 3 116.545 116.545 120.124 -3.579 19355 403 1 7 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.471 0.005 19355 404 1 7 . 1 1 3 3 ARG C C 3 173.577 173.577 177.603 -4.026 19355 405 1 7 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.581 -3.085 19355 406 1 7 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.700 -3.185 19355 407 1 7 . 1 1 3 3 ARG H H 3 7.860 7.860 8.333 -0.473 19355 408 1 7 . 1 1 4 4 ARG N N 4 114.271 114.271 119.173 -4.902 19355 409 1 7 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.213 0.182 19355 410 1 7 . 1 1 4 4 ARG CA C 4 57.965 57.965 57.510 0.455 19355 411 1 7 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.033 4.389 19355 412 1 7 . 1 1 4 4 ARG H H 4 7.140 7.140 8.294 -1.154 19355 413 1 7 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.115 0.292 19355 414 1 7 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.343 -3.584 19355 415 1 7 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.687 4.203 19355 416 1 7 . 1 1 6 6 PHE N N 6 114.237 114.237 114.648 -0.411 19355 417 1 7 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.493 -0.514 19355 418 1 7 . 1 1 6 6 PHE C C 6 174.252 174.252 173.755 0.497 19355 419 1 7 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.700 2.352 19355 420 1 7 . 1 1 6 6 PHE CB C 6 36.777 36.777 40.755 -3.978 19355 421 1 7 . 1 1 6 6 PHE H H 6 8.414 8.414 7.623 0.791 19355 422 1 7 . 1 1 7 7 ALA N N 7 123.916 123.916 127.717 -3.801 19355 423 1 7 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.296 -0.051 19355 424 1 7 . 1 1 7 7 ALA C C 7 178.138 178.138 177.124 1.014 19355 425 1 7 . 1 1 7 7 ALA CA C 7 53.922 53.922 52.602 1.320 19355 426 1 7 . 1 1 7 7 ALA CB C 7 20.536 20.536 19.214 1.322 19355 427 1 7 . 1 1 7 7 ALA H H 7 8.647 8.647 8.295 0.352 19355 428 1 7 . 1 1 8 8 ASN N N 8 118.947 118.947 123.421 -4.474 19355 429 1 7 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.652 -0.007 19355 430 1 7 . 1 1 8 8 ASN C C 8 174.376 174.376 176.768 -2.392 19355 431 1 7 . 1 1 8 8 ASN CA C 8 52.054 52.054 53.104 -1.050 19355 432 1 7 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.381 0.131 19355 433 1 7 . 1 1 8 8 ASN H H 8 6.983 6.983 8.541 -1.558 19355 434 1 7 . 1 1 9 9 GLN N N 9 114.393 114.393 122.272 -7.879 19355 435 1 7 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.118 -0.529 19355 436 1 7 . 1 1 9 9 GLN C C 9 174.086 174.086 177.814 -3.728 19355 437 1 7 . 1 1 9 9 GLN CA C 9 59.380 59.380 58.368 1.012 19355 438 1 7 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.789 0.780 19355 439 1 7 . 1 1 9 9 GLN H H 9 8.315 8.315 8.688 -0.373 19355 440 1 7 . 1 1 10 10 LEU N N 10 110.452 110.452 119.202 -8.750 19355 441 1 7 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.172 0.229 19355 442 1 7 . 1 1 10 10 LEU C C 10 174.539 174.539 178.047 -3.508 19355 443 1 7 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.559 -0.343 19355 444 1 7 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.031 3.064 19355 445 1 7 . 1 1 10 10 LEU H H 10 7.719 7.719 7.961 -0.242 19355 446 1 7 . 1 1 11 11 VAL N N 11 111.103 111.103 116.698 -5.595 19355 447 1 7 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.204 0.189 19355 448 1 7 . 1 1 11 11 VAL C C 11 174.454 174.454 174.261 0.193 19355 449 1 7 . 1 1 11 11 VAL CA C 11 60.138 60.138 62.008 -1.870 19355 450 1 7 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.413 1.595 19355 451 1 7 . 1 1 11 11 VAL H H 11 7.717 7.717 7.585 0.132 19355 452 1 7 . 1 1 12 12 GLY N N 12 115.582 115.582 111.890 3.692 19355 453 1 7 . 1 1 12 12 GLY C C 12 174.551 174.551 173.649 0.902 19355 454 1 7 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.614 -1.441 19355 455 1 7 . 1 1 12 12 GLY H H 12 8.980 8.980 8.203 0.777 19355 456 1 7 . 1 1 13 13 ARG N N 13 119.199 119.199 119.605 -0.406 19355 457 1 7 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.023 1.144 19355 458 1 7 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.510 -2.163 19355 459 1 7 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.396 5.799 19355 460 1 7 . 1 1 13 13 ARG H H 13 7.082 7.082 8.302 -1.220 19355 461 1 7 . 1 1 14 14 ARG C C 14 175.104 175.104 174.890 0.214 19355 462 1 7 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.561 2.190 19355 463 1 8 . 1 1 2 2 LEU N N 2 118.463 118.463 117.597 0.866 19355 464 1 8 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.915 -0.387 19355 465 1 8 . 1 1 2 2 LEU CA C 2 53.328 53.328 54.055 -0.727 19355 466 1 8 . 1 1 2 2 LEU CB C 2 43.051 43.051 45.944 -2.893 19355 467 1 8 . 1 1 2 2 LEU H H 2 8.393 8.393 8.315 0.078 19355 468 1 8 . 1 1 3 3 ARG N N 3 116.545 116.545 121.826 -5.281 19355 469 1 8 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.481 -0.005 19355 470 1 8 . 1 1 3 3 ARG C C 3 173.577 173.577 178.221 -4.644 19355 471 1 8 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.608 -3.112 19355 472 1 8 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.299 -2.784 19355 473 1 8 . 1 1 3 3 ARG H H 3 7.860 7.860 8.489 -0.629 19355 474 1 8 . 1 1 4 4 ARG N N 4 114.271 114.271 118.655 -4.384 19355 475 1 8 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.318 0.077 19355 476 1 8 . 1 1 4 4 ARG CA C 4 57.965 57.965 57.763 0.202 19355 477 1 8 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.542 3.880 19355 478 1 8 . 1 1 4 4 ARG H H 4 7.140 7.140 8.286 -1.146 19355 479 1 8 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.295 0.112 19355 480 1 8 . 1 1 5 5 LEU CA C 5 53.759 53.759 54.228 -0.469 19355 481 1 8 . 1 1 5 5 LEU CB C 5 46.890 46.890 41.030 5.860 19355 482 1 8 . 1 1 6 6 PHE N N 6 114.237 114.237 119.488 -5.251 19355 483 1 8 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.166 -0.187 19355 484 1 8 . 1 1 6 6 PHE C C 6 174.252 174.252 174.984 -0.732 19355 485 1 8 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.867 2.185 19355 486 1 8 . 1 1 6 6 PHE CB C 6 36.777 36.777 39.630 -2.853 19355 487 1 8 . 1 1 6 6 PHE H H 6 8.414 8.414 7.651 0.763 19355 488 1 8 . 1 1 7 7 ALA N N 7 123.916 123.916 127.503 -3.587 19355 489 1 8 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.452 -0.207 19355 490 1 8 . 1 1 7 7 ALA C C 7 178.138 178.138 176.652 1.486 19355 491 1 8 . 1 1 7 7 ALA CA C 7 53.922 53.922 52.255 1.667 19355 492 1 8 . 1 1 7 7 ALA CB C 7 20.536 20.536 19.844 0.692 19355 493 1 8 . 1 1 7 7 ALA H H 7 8.647 8.647 8.067 0.580 19355 494 1 8 . 1 1 8 8 ASN N N 8 118.947 118.947 116.954 1.993 19355 495 1 8 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.922 -0.277 19355 496 1 8 . 1 1 8 8 ASN C C 8 174.376 174.376 176.448 -2.072 19355 497 1 8 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.421 -0.367 19355 498 1 8 . 1 1 8 8 ASN CB C 8 39.512 39.512 40.523 -1.011 19355 499 1 8 . 1 1 8 8 ASN H H 8 6.983 6.983 8.584 -1.601 19355 500 1 8 . 1 1 9 9 GLN N N 9 114.393 114.393 122.377 -7.984 19355 501 1 8 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.103 -0.514 19355 502 1 8 . 1 1 9 9 GLN C C 9 174.086 174.086 177.486 -3.400 19355 503 1 8 . 1 1 9 9 GLN CA C 9 59.380 59.380 58.116 1.264 19355 504 1 8 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.828 0.742 19355 505 1 8 . 1 1 9 9 GLN H H 9 8.315 8.315 8.619 -0.304 19355 506 1 8 . 1 1 10 10 LEU N N 10 110.452 110.452 119.033 -8.581 19355 507 1 8 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.211 0.190 19355 508 1 8 . 1 1 10 10 LEU C C 10 174.539 174.539 177.920 -3.381 19355 509 1 8 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.136 0.080 19355 510 1 8 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.184 2.911 19355 511 1 8 . 1 1 10 10 LEU H H 10 7.719 7.719 7.869 -0.150 19355 512 1 8 . 1 1 11 11 VAL N N 11 111.103 111.103 117.142 -6.039 19355 513 1 8 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.215 0.178 19355 514 1 8 . 1 1 11 11 VAL C C 11 174.454 174.454 174.158 0.296 19355 515 1 8 . 1 1 11 11 VAL CA C 11 60.138 60.138 62.003 -1.865 19355 516 1 8 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.297 1.710 19355 517 1 8 . 1 1 11 11 VAL H H 11 7.717 7.717 7.540 0.177 19355 518 1 8 . 1 1 12 12 GLY N N 12 115.582 115.582 111.592 3.990 19355 519 1 8 . 1 1 12 12 GLY C C 12 174.551 174.551 174.032 0.519 19355 520 1 8 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.659 -1.486 19355 521 1 8 . 1 1 12 12 GLY H H 12 8.980 8.980 8.323 0.657 19355 522 1 8 . 1 1 13 13 ARG N N 13 119.199 119.199 120.536 -1.337 19355 523 1 8 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.121 1.046 19355 524 1 8 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.833 -2.486 19355 525 1 8 . 1 1 13 13 ARG CB C 13 33.195 33.195 28.215 4.980 19355 526 1 8 . 1 1 13 13 ARG H H 13 7.082 7.082 8.292 -1.210 19355 527 1 8 . 1 1 14 14 ARG C C 14 175.104 175.104 174.548 0.556 19355 528 1 8 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.465 2.285 19355 529 1 9 . 1 1 2 2 LEU N N 2 118.463 118.463 119.544 -1.081 19355 530 1 9 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.836 -0.308 19355 531 1 9 . 1 1 2 2 LEU CA C 2 53.328 53.328 54.154 -0.826 19355 532 1 9 . 1 1 2 2 LEU CB C 2 43.051 43.051 44.191 -1.140 19355 533 1 9 . 1 1 2 2 LEU H H 2 8.393 8.393 8.496 -0.103 19355 534 1 9 . 1 1 3 3 ARG N N 3 116.545 116.545 120.546 -4.001 19355 535 1 9 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.321 0.155 19355 536 1 9 . 1 1 3 3 ARG C C 3 173.577 173.577 177.560 -3.983 19355 537 1 9 . 1 1 3 3 ARG CA C 3 54.496 54.496 58.419 -3.923 19355 538 1 9 . 1 1 3 3 ARG CB C 3 28.515 28.515 30.940 -2.425 19355 539 1 9 . 1 1 3 3 ARG H H 3 7.860 7.860 8.240 -0.380 19355 540 1 9 . 1 1 4 4 ARG N N 4 114.271 114.271 117.481 -3.210 19355 541 1 9 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.272 0.123 19355 542 1 9 . 1 1 4 4 ARG CA C 4 57.965 57.965 57.737 0.228 19355 543 1 9 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.746 3.676 19355 544 1 9 . 1 1 4 4 ARG H H 4 7.140 7.140 7.797 -0.657 19355 545 1 9 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.114 0.293 19355 546 1 9 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.666 -3.907 19355 547 1 9 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.721 4.169 19355 548 1 9 . 1 1 6 6 PHE N N 6 114.237 114.237 114.687 -0.450 19355 549 1 9 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.535 -0.556 19355 550 1 9 . 1 1 6 6 PHE C C 6 174.252 174.252 173.667 0.585 19355 551 1 9 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.360 2.692 19355 552 1 9 . 1 1 6 6 PHE CB C 6 36.777 36.777 40.630 -3.853 19355 553 1 9 . 1 1 6 6 PHE H H 6 8.414 8.414 7.644 0.770 19355 554 1 9 . 1 1 7 7 ALA N N 7 123.916 123.916 127.464 -3.548 19355 555 1 9 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.906 -0.661 19355 556 1 9 . 1 1 7 7 ALA C C 7 178.138 178.138 176.727 1.411 19355 557 1 9 . 1 1 7 7 ALA CA C 7 53.922 53.922 51.550 2.372 19355 558 1 9 . 1 1 7 7 ALA CB C 7 20.536 20.536 20.031 0.505 19355 559 1 9 . 1 1 7 7 ALA H H 7 8.647 8.647 8.218 0.429 19355 560 1 9 . 1 1 8 8 ASN N N 8 118.947 118.947 118.818 0.129 19355 561 1 9 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.877 -0.232 19355 562 1 9 . 1 1 8 8 ASN C C 8 174.376 174.376 175.491 -1.115 19355 563 1 9 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.241 -0.187 19355 564 1 9 . 1 1 8 8 ASN CB C 8 39.512 39.512 40.505 -0.994 19355 565 1 9 . 1 1 8 8 ASN H H 8 6.983 6.983 8.610 -1.627 19355 566 1 9 . 1 1 9 9 GLN N N 9 114.393 114.393 122.947 -8.554 19355 567 1 9 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.076 -0.487 19355 568 1 9 . 1 1 9 9 GLN C C 9 174.086 174.086 177.734 -3.648 19355 569 1 9 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.794 1.586 19355 570 1 9 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.819 0.750 19355 571 1 9 . 1 1 9 9 GLN H H 9 8.315 8.315 8.561 -0.246 19355 572 1 9 . 1 1 10 10 LEU N N 10 110.452 110.452 119.193 -8.741 19355 573 1 9 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.161 0.240 19355 574 1 9 . 1 1 10 10 LEU C C 10 174.539 174.539 178.021 -3.482 19355 575 1 9 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.391 -0.174 19355 576 1 9 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.061 3.034 19355 577 1 9 . 1 1 10 10 LEU H H 10 7.719 7.719 7.891 -0.172 19355 578 1 9 . 1 1 11 11 VAL N N 11 111.103 111.103 117.175 -6.072 19355 579 1 9 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.263 0.130 19355 580 1 9 . 1 1 11 11 VAL C C 11 174.454 174.454 174.086 0.368 19355 581 1 9 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.479 -1.341 19355 582 1 9 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.474 1.533 19355 583 1 9 . 1 1 11 11 VAL H H 11 7.717 7.717 7.544 0.173 19355 584 1 9 . 1 1 12 12 GLY N N 12 115.582 115.582 110.994 4.588 19355 585 1 9 . 1 1 12 12 GLY C C 12 174.551 174.551 173.384 1.167 19355 586 1 9 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.395 -1.222 19355 587 1 9 . 1 1 12 12 GLY H H 12 8.980 8.980 8.174 0.806 19355 588 1 9 . 1 1 13 13 ARG N N 13 119.199 119.199 118.631 0.568 19355 589 1 9 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.187 0.980 19355 590 1 9 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.422 -2.075 19355 591 1 9 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.977 5.218 19355 592 1 9 . 1 1 13 13 ARG H H 13 7.082 7.082 8.203 -1.121 19355 593 1 9 . 1 1 14 14 ARG C C 14 175.104 175.104 175.336 -0.232 19355 594 1 9 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.969 1.782 19355 595 1 10 . 1 1 2 2 LEU N N 2 118.463 118.463 117.572 0.891 19355 596 1 10 . 1 1 2 2 LEU HA H 2 4.528 4.528 5.020 -0.492 19355 597 1 10 . 1 1 2 2 LEU CA C 2 53.328 53.328 54.184 -0.856 19355 598 1 10 . 1 1 2 2 LEU CB C 2 43.051 43.051 46.152 -3.101 19355 599 1 10 . 1 1 2 2 LEU H H 2 8.393 8.393 8.268 0.125 19355 600 1 10 . 1 1 3 3 ARG N N 3 116.545 116.545 120.358 -3.813 19355 601 1 10 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.451 0.025 19355 602 1 10 . 1 1 3 3 ARG C C 3 173.577 173.577 177.211 -3.634 19355 603 1 10 . 1 1 3 3 ARG CA C 3 54.496 54.496 56.965 -2.469 19355 604 1 10 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.708 -3.193 19355 605 1 10 . 1 1 3 3 ARG H H 3 7.860 7.860 8.104 -0.244 19355 606 1 10 . 1 1 4 4 ARG N N 4 114.271 114.271 119.577 -5.306 19355 607 1 10 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.157 0.238 19355 608 1 10 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.296 -0.331 19355 609 1 10 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.004 4.418 19355 610 1 10 . 1 1 4 4 ARG H H 4 7.140 7.140 7.891 -0.751 19355 611 1 10 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.101 0.306 19355 612 1 10 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.544 -3.785 19355 613 1 10 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.388 4.502 19355 614 1 10 . 1 1 6 6 PHE N N 6 114.237 114.237 113.911 0.326 19355 615 1 10 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.505 -0.526 19355 616 1 10 . 1 1 6 6 PHE C C 6 174.252 174.252 173.748 0.504 19355 617 1 10 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.285 2.767 19355 618 1 10 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.234 -4.457 19355 619 1 10 . 1 1 6 6 PHE H H 6 8.414 8.414 7.612 0.802 19355 620 1 10 . 1 1 7 7 ALA N N 7 123.916 123.916 124.287 -0.371 19355 621 1 10 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.558 -0.313 19355 622 1 10 . 1 1 7 7 ALA C C 7 178.138 178.138 176.139 1.999 19355 623 1 10 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.234 3.688 19355 624 1 10 . 1 1 7 7 ALA CB C 7 20.536 20.536 20.070 0.466 19355 625 1 10 . 1 1 7 7 ALA H H 7 8.647 8.647 7.326 1.321 19355 626 1 10 . 1 1 8 8 ASN N N 8 118.947 118.947 123.161 -4.214 19355 627 1 10 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.575 0.070 19355 628 1 10 . 1 1 8 8 ASN C C 8 174.376 174.376 176.416 -2.040 19355 629 1 10 . 1 1 8 8 ASN CA C 8 52.054 52.054 53.362 -1.308 19355 630 1 10 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.194 0.318 19355 631 1 10 . 1 1 8 8 ASN H H 8 6.983 6.983 8.653 -1.670 19355 632 1 10 . 1 1 9 9 GLN N N 9 114.393 114.393 121.876 -7.483 19355 633 1 10 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.100 -0.511 19355 634 1 10 . 1 1 9 9 GLN C C 9 174.086 174.086 177.489 -3.403 19355 635 1 10 . 1 1 9 9 GLN CA C 9 59.380 59.380 58.109 1.271 19355 636 1 10 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.946 0.623 19355 637 1 10 . 1 1 9 9 GLN H H 9 8.315 8.315 8.665 -0.350 19355 638 1 10 . 1 1 10 10 LEU N N 10 110.452 110.452 119.174 -8.722 19355 639 1 10 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.183 0.218 19355 640 1 10 . 1 1 10 10 LEU C C 10 174.539 174.539 178.030 -3.491 19355 641 1 10 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.418 -0.202 19355 642 1 10 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.083 3.012 19355 643 1 10 . 1 1 10 10 LEU H H 10 7.719 7.719 7.943 -0.224 19355 644 1 10 . 1 1 11 11 VAL N N 11 111.103 111.103 116.695 -5.592 19355 645 1 10 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.239 0.154 19355 646 1 10 . 1 1 11 11 VAL C C 11 174.454 174.454 174.142 0.312 19355 647 1 10 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.735 -1.597 19355 648 1 10 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.343 1.664 19355 649 1 10 . 1 1 11 11 VAL H H 11 7.717 7.717 7.557 0.160 19355 650 1 10 . 1 1 12 12 GLY N N 12 115.582 115.582 110.939 4.643 19355 651 1 10 . 1 1 12 12 GLY C C 12 174.551 174.551 174.039 0.512 19355 652 1 10 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.691 -1.518 19355 653 1 10 . 1 1 12 12 GLY H H 12 8.980 8.980 8.244 0.736 19355 654 1 10 . 1 1 13 13 ARG N N 13 119.199 119.199 119.573 -0.374 19355 655 1 10 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.134 1.033 19355 656 1 10 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.819 -2.472 19355 657 1 10 . 1 1 13 13 ARG CB C 13 33.195 33.195 28.219 4.976 19355 658 1 10 . 1 1 13 13 ARG H H 13 7.082 7.082 8.276 -1.194 19355 659 1 10 . 1 1 14 14 ARG C C 14 175.104 175.104 174.253 0.851 19355 660 1 10 . 1 1 14 14 ARG CB C 14 33.751 33.751 30.480 3.271 19355 661 1 11 . 1 1 2 2 LEU N N 2 118.463 118.463 120.149 -1.686 19355 662 1 11 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.777 -0.249 19355 663 1 11 . 1 1 2 2 LEU CA C 2 53.328 53.328 55.202 -1.874 19355 664 1 11 . 1 1 2 2 LEU CB C 2 43.051 43.051 43.142 -0.091 19355 665 1 11 . 1 1 2 2 LEU H H 2 8.393 8.393 8.246 0.147 19355 666 1 11 . 1 1 3 3 ARG N N 3 116.545 116.545 119.795 -3.250 19355 667 1 11 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.468 0.008 19355 668 1 11 . 1 1 3 3 ARG C C 3 173.577 173.577 177.487 -3.910 19355 669 1 11 . 1 1 3 3 ARG CA C 3 54.496 54.496 56.960 -2.464 19355 670 1 11 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.403 -2.888 19355 671 1 11 . 1 1 3 3 ARG H H 3 7.860 7.860 8.146 -0.286 19355 672 1 11 . 1 1 4 4 ARG N N 4 114.271 114.271 119.583 -5.312 19355 673 1 11 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.202 0.193 19355 674 1 11 . 1 1 4 4 ARG CA C 4 57.965 57.965 57.926 0.039 19355 675 1 11 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.006 4.416 19355 676 1 11 . 1 1 4 4 ARG H H 4 7.140 7.140 7.852 -0.712 19355 677 1 11 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.096 0.311 19355 678 1 11 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.050 -3.291 19355 679 1 11 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.407 4.483 19355 680 1 11 . 1 1 6 6 PHE N N 6 114.237 114.237 113.694 0.543 19355 681 1 11 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.460 -0.481 19355 682 1 11 . 1 1 6 6 PHE C C 6 174.252 174.252 172.963 1.289 19355 683 1 11 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.206 2.846 19355 684 1 11 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.636 -4.859 19355 685 1 11 . 1 1 6 6 PHE H H 6 8.414 8.414 7.542 0.872 19355 686 1 11 . 1 1 7 7 ALA N N 7 123.916 123.916 121.905 2.011 19355 687 1 11 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.787 -0.542 19355 688 1 11 . 1 1 7 7 ALA C C 7 178.138 178.138 175.876 2.262 19355 689 1 11 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.490 3.432 19355 690 1 11 . 1 1 7 7 ALA CB C 7 20.536 20.536 21.387 -0.852 19355 691 1 11 . 1 1 7 7 ALA H H 7 8.647 8.647 7.378 1.269 19355 692 1 11 . 1 1 8 8 ASN N N 8 118.947 118.947 119.343 -0.396 19355 693 1 11 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.969 -0.324 19355 694 1 11 . 1 1 8 8 ASN C C 8 174.376 174.376 175.995 -1.619 19355 695 1 11 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.387 -0.333 19355 696 1 11 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.870 -0.358 19355 697 1 11 . 1 1 8 8 ASN H H 8 6.983 6.983 8.690 -1.707 19355 698 1 11 . 1 1 9 9 GLN N N 9 114.393 114.393 123.228 -8.835 19355 699 1 11 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.100 -0.511 19355 700 1 11 . 1 1 9 9 GLN C C 9 174.086 174.086 177.638 -3.552 19355 701 1 11 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.912 1.468 19355 702 1 11 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.842 0.727 19355 703 1 11 . 1 1 9 9 GLN H H 9 8.315 8.315 8.616 -0.301 19355 704 1 11 . 1 1 10 10 LEU N N 10 110.452 110.452 119.193 -8.741 19355 705 1 11 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.186 0.215 19355 706 1 11 . 1 1 10 10 LEU C C 10 174.539 174.539 178.056 -3.517 19355 707 1 11 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.327 -0.111 19355 708 1 11 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.092 3.003 19355 709 1 11 . 1 1 10 10 LEU H H 10 7.719 7.719 7.926 -0.207 19355 710 1 11 . 1 1 11 11 VAL N N 11 111.103 111.103 117.047 -5.944 19355 711 1 11 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.261 0.132 19355 712 1 11 . 1 1 11 11 VAL C C 11 174.454 174.454 174.117 0.337 19355 713 1 11 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.612 -1.474 19355 714 1 11 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.473 1.534 19355 715 1 11 . 1 1 11 11 VAL H H 11 7.717 7.717 7.562 0.155 19355 716 1 11 . 1 1 12 12 GLY N N 12 115.582 115.582 110.825 4.757 19355 717 1 11 . 1 1 12 12 GLY C C 12 174.551 174.551 173.422 1.129 19355 718 1 11 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.462 -1.289 19355 719 1 11 . 1 1 12 12 GLY H H 12 8.980 8.980 8.143 0.837 19355 720 1 11 . 1 1 13 13 ARG N N 13 119.199 119.199 119.851 -0.652 19355 721 1 11 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.042 1.125 19355 722 1 11 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.753 -2.406 19355 723 1 11 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.004 6.191 19355 724 1 11 . 1 1 13 13 ARG H H 13 7.082 7.082 8.192 -1.110 19355 725 1 11 . 1 1 14 14 ARG C C 14 175.104 175.104 175.563 -0.459 19355 726 1 11 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.779 1.972 19355 727 1 12 . 1 1 2 2 LEU N N 2 118.463 118.463 118.108 0.355 19355 728 1 12 . 1 1 2 2 LEU HA H 2 4.528 4.528 5.119 -0.591 19355 729 1 12 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.234 0.094 19355 730 1 12 . 1 1 2 2 LEU CB C 2 43.051 43.051 46.048 -2.997 19355 731 1 12 . 1 1 2 2 LEU H H 2 8.393 8.393 7.879 0.514 19355 732 1 12 . 1 1 3 3 ARG N N 3 116.545 116.545 119.848 -3.303 19355 733 1 12 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.448 0.028 19355 734 1 12 . 1 1 3 3 ARG C C 3 173.577 173.577 178.065 -4.488 19355 735 1 12 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.200 -2.704 19355 736 1 12 . 1 1 3 3 ARG CB C 3 28.515 28.515 32.027 -3.512 19355 737 1 12 . 1 1 3 3 ARG H H 3 7.860 7.860 8.166 -0.306 19355 738 1 12 . 1 1 4 4 ARG N N 4 114.271 114.271 120.414 -6.143 19355 739 1 12 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.118 0.277 19355 740 1 12 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.741 -0.776 19355 741 1 12 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.068 4.354 19355 742 1 12 . 1 1 4 4 ARG H H 4 7.140 7.140 8.067 -0.927 19355 743 1 12 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.083 0.324 19355 744 1 12 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.094 -3.335 19355 745 1 12 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.502 4.388 19355 746 1 12 . 1 1 6 6 PHE N N 6 114.237 114.237 113.803 0.434 19355 747 1 12 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.511 -0.531 19355 748 1 12 . 1 1 6 6 PHE C C 6 174.252 174.252 173.608 0.644 19355 749 1 12 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.425 2.627 19355 750 1 12 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.206 -4.429 19355 751 1 12 . 1 1 6 6 PHE H H 6 8.414 8.414 7.586 0.828 19355 752 1 12 . 1 1 7 7 ALA N N 7 123.916 123.916 123.716 0.200 19355 753 1 12 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.643 -0.398 19355 754 1 12 . 1 1 7 7 ALA C C 7 178.138 178.138 175.886 2.252 19355 755 1 12 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.353 3.569 19355 756 1 12 . 1 1 7 7 ALA CB C 7 20.536 20.536 21.189 -0.653 19355 757 1 12 . 1 1 7 7 ALA H H 7 8.647 8.647 7.454 1.193 19355 758 1 12 . 1 1 8 8 ASN N N 8 118.947 118.947 121.344 -2.397 19355 759 1 12 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.871 -0.226 19355 760 1 12 . 1 1 8 8 ASN C C 8 174.376 174.376 176.113 -1.737 19355 761 1 12 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.755 -0.701 19355 762 1 12 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.374 0.138 19355 763 1 12 . 1 1 8 8 ASN H H 8 6.983 6.983 8.694 -1.711 19355 764 1 12 . 1 1 9 9 GLN N N 9 114.393 114.393 123.213 -8.820 19355 765 1 12 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.112 -0.523 19355 766 1 12 . 1 1 9 9 GLN C C 9 174.086 174.086 177.706 -3.620 19355 767 1 12 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.854 1.526 19355 768 1 12 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.818 0.751 19355 769 1 12 . 1 1 9 9 GLN H H 9 8.315 8.315 8.588 -0.273 19355 770 1 12 . 1 1 10 10 LEU N N 10 110.452 110.452 119.254 -8.802 19355 771 1 12 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.172 0.229 19355 772 1 12 . 1 1 10 10 LEU C C 10 174.539 174.539 178.104 -3.565 19355 773 1 12 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.424 -0.208 19355 774 1 12 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.048 3.047 19355 775 1 12 . 1 1 10 10 LEU H H 10 7.719 7.719 7.959 -0.240 19355 776 1 12 . 1 1 11 11 VAL N N 11 111.103 111.103 117.180 -6.077 19355 777 1 12 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.271 0.122 19355 778 1 12 . 1 1 11 11 VAL C C 11 174.454 174.454 174.117 0.337 19355 779 1 12 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.394 -1.256 19355 780 1 12 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.647 1.360 19355 781 1 12 . 1 1 11 11 VAL H H 11 7.717 7.717 7.593 0.124 19355 782 1 12 . 1 1 12 12 GLY N N 12 115.582 115.582 110.495 5.087 19355 783 1 12 . 1 1 12 12 GLY C C 12 174.551 174.551 173.677 0.874 19355 784 1 12 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.190 -1.016 19355 785 1 12 . 1 1 12 12 GLY H H 12 8.980 8.980 8.077 0.903 19355 786 1 12 . 1 1 13 13 ARG N N 13 119.199 119.199 118.077 1.122 19355 787 1 12 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.051 1.116 19355 788 1 12 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.507 -2.160 19355 789 1 12 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.479 5.716 19355 790 1 12 . 1 1 13 13 ARG H H 13 7.082 7.082 8.173 -1.091 19355 791 1 12 . 1 1 14 14 ARG C C 14 175.104 175.104 174.853 0.251 19355 792 1 12 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.083 2.668 19355 793 1 13 . 1 1 2 2 LEU N N 2 118.463 118.463 117.499 0.964 19355 794 1 13 . 1 1 2 2 LEU HA H 2 4.528 4.528 5.247 -0.719 19355 795 1 13 . 1 1 2 2 LEU CA C 2 53.328 53.328 54.047 -0.719 19355 796 1 13 . 1 1 2 2 LEU CB C 2 43.051 43.051 46.044 -2.993 19355 797 1 13 . 1 1 2 2 LEU H H 2 8.393 8.393 8.258 0.135 19355 798 1 13 . 1 1 3 3 ARG N N 3 116.545 116.545 120.072 -3.527 19355 799 1 13 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.547 -0.071 19355 800 1 13 . 1 1 3 3 ARG C C 3 173.577 173.577 177.039 -3.462 19355 801 1 13 . 1 1 3 3 ARG CA C 3 54.496 54.496 56.922 -2.426 19355 802 1 13 . 1 1 3 3 ARG CB C 3 28.515 28.515 32.047 -3.532 19355 803 1 13 . 1 1 3 3 ARG H H 3 7.860 7.860 8.168 -0.308 19355 804 1 13 . 1 1 4 4 ARG N N 4 114.271 114.271 120.215 -5.944 19355 805 1 13 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.135 0.260 19355 806 1 13 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.067 -0.102 19355 807 1 13 . 1 1 4 4 ARG CB C 4 34.422 34.422 29.834 4.588 19355 808 1 13 . 1 1 4 4 ARG H H 4 7.140 7.140 7.846 -0.706 19355 809 1 13 . 1 1 5 5 LEU HA H 5 4.407 4.407 3.951 0.456 19355 810 1 13 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.075 -3.316 19355 811 1 13 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.297 4.593 19355 812 1 13 . 1 1 6 6 PHE N N 6 114.237 114.237 113.467 0.770 19355 813 1 13 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.491 -0.512 19355 814 1 13 . 1 1 6 6 PHE C C 6 174.252 174.252 173.720 0.532 19355 815 1 13 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.106 2.946 19355 816 1 13 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.840 -5.063 19355 817 1 13 . 1 1 6 6 PHE H H 6 8.414 8.414 7.492 0.922 19355 818 1 13 . 1 1 7 7 ALA N N 7 123.916 123.916 122.710 1.206 19355 819 1 13 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.787 -0.542 19355 820 1 13 . 1 1 7 7 ALA C C 7 178.138 178.138 176.219 1.919 19355 821 1 13 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.670 3.252 19355 822 1 13 . 1 1 7 7 ALA CB C 7 20.536 20.536 21.578 -1.042 19355 823 1 13 . 1 1 7 7 ALA H H 7 8.647 8.647 8.529 0.118 19355 824 1 13 . 1 1 8 8 ASN N N 8 118.947 118.947 120.445 -1.498 19355 825 1 13 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.891 -0.246 19355 826 1 13 . 1 1 8 8 ASN C C 8 174.376 174.376 176.274 -1.898 19355 827 1 13 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.493 -0.439 19355 828 1 13 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.562 -0.050 19355 829 1 13 . 1 1 8 8 ASN H H 8 6.983 6.983 8.695 -1.712 19355 830 1 13 . 1 1 9 9 GLN N N 9 114.393 114.393 123.219 -8.826 19355 831 1 13 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.104 -0.515 19355 832 1 13 . 1 1 9 9 GLN C C 9 174.086 174.086 177.614 -3.528 19355 833 1 13 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.897 1.483 19355 834 1 13 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.811 0.758 19355 835 1 13 . 1 1 9 9 GLN H H 9 8.315 8.315 8.564 -0.249 19355 836 1 13 . 1 1 10 10 LEU N N 10 110.452 110.452 119.219 -8.767 19355 837 1 13 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.173 0.228 19355 838 1 13 . 1 1 10 10 LEU C C 10 174.539 174.539 178.039 -3.500 19355 839 1 13 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.375 -0.159 19355 840 1 13 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.071 3.024 19355 841 1 13 . 1 1 10 10 LEU H H 10 7.719 7.719 7.936 -0.217 19355 842 1 13 . 1 1 11 11 VAL N N 11 111.103 111.103 116.446 -5.343 19355 843 1 13 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.222 0.171 19355 844 1 13 . 1 1 11 11 VAL C C 11 174.454 174.454 174.155 0.299 19355 845 1 13 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.779 -1.641 19355 846 1 13 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.282 1.724 19355 847 1 13 . 1 1 11 11 VAL H H 11 7.717 7.717 7.539 0.178 19355 848 1 13 . 1 1 12 12 GLY N N 12 115.582 115.582 110.812 4.770 19355 849 1 13 . 1 1 12 12 GLY C C 12 174.551 174.551 173.712 0.839 19355 850 1 13 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.474 -1.300 19355 851 1 13 . 1 1 12 12 GLY H H 12 8.980 8.980 8.235 0.745 19355 852 1 13 . 1 1 13 13 ARG N N 13 119.199 119.199 119.101 0.098 19355 853 1 13 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.143 1.024 19355 854 1 13 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.665 -2.318 19355 855 1 13 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.311 5.884 19355 856 1 13 . 1 1 13 13 ARG H H 13 7.082 7.082 8.136 -1.054 19355 857 1 13 . 1 1 14 14 ARG C C 14 175.104 175.104 175.709 -0.605 19355 858 1 13 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.662 2.089 19355 859 1 14 . 1 1 2 2 LEU N N 2 118.463 118.463 119.359 -0.896 19355 860 1 14 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.666 -0.138 19355 861 1 14 . 1 1 2 2 LEU CA C 2 53.328 53.328 54.538 -1.210 19355 862 1 14 . 1 1 2 2 LEU CB C 2 43.051 43.051 43.794 -0.743 19355 863 1 14 . 1 1 2 2 LEU H H 2 8.393 8.393 8.062 0.331 19355 864 1 14 . 1 1 3 3 ARG N N 3 116.545 116.545 120.101 -3.556 19355 865 1 14 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.454 0.022 19355 866 1 14 . 1 1 3 3 ARG C C 3 173.577 173.577 177.401 -3.824 19355 867 1 14 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.720 -3.224 19355 868 1 14 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.177 -2.662 19355 869 1 14 . 1 1 3 3 ARG H H 3 7.860 7.860 7.935 -0.075 19355 870 1 14 . 1 1 4 4 ARG N N 4 114.271 114.271 118.530 -4.259 19355 871 1 14 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.194 0.201 19355 872 1 14 . 1 1 4 4 ARG CA C 4 57.965 57.965 57.969 -0.004 19355 873 1 14 . 1 1 4 4 ARG CB C 4 34.422 34.422 29.959 4.463 19355 874 1 14 . 1 1 4 4 ARG H H 4 7.140 7.140 7.903 -0.763 19355 875 1 14 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.115 0.292 19355 876 1 14 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.397 -3.638 19355 877 1 14 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.617 4.273 19355 878 1 14 . 1 1 6 6 PHE N N 6 114.237 114.237 114.887 -0.650 19355 879 1 14 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.499 -0.520 19355 880 1 14 . 1 1 6 6 PHE C C 6 174.252 174.252 173.593 0.659 19355 881 1 14 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.565 2.487 19355 882 1 14 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.114 -4.337 19355 883 1 14 . 1 1 6 6 PHE H H 6 8.414 8.414 7.586 0.828 19355 884 1 14 . 1 1 7 7 ALA N N 7 123.916 123.916 127.801 -3.885 19355 885 1 14 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.741 -0.496 19355 886 1 14 . 1 1 7 7 ALA C C 7 178.138 178.138 177.067 1.071 19355 887 1 14 . 1 1 7 7 ALA CA C 7 53.922 53.922 51.662 2.260 19355 888 1 14 . 1 1 7 7 ALA CB C 7 20.536 20.536 19.747 0.789 19355 889 1 14 . 1 1 7 7 ALA H H 7 8.647 8.647 8.177 0.470 19355 890 1 14 . 1 1 8 8 ASN N N 8 118.947 118.947 121.365 -2.418 19355 891 1 14 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.920 -0.275 19355 892 1 14 . 1 1 8 8 ASN C C 8 174.376 174.376 176.276 -1.900 19355 893 1 14 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.645 -0.591 19355 894 1 14 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.661 -0.149 19355 895 1 14 . 1 1 8 8 ASN H H 8 6.983 6.983 8.461 -1.478 19355 896 1 14 . 1 1 9 9 GLN N N 9 114.393 114.393 123.924 -9.531 19355 897 1 14 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.134 -0.545 19355 898 1 14 . 1 1 9 9 GLN C C 9 174.086 174.086 177.747 -3.661 19355 899 1 14 . 1 1 9 9 GLN CA C 9 59.380 59.380 58.107 1.273 19355 900 1 14 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.840 0.729 19355 901 1 14 . 1 1 9 9 GLN H H 9 8.315 8.315 8.695 -0.380 19355 902 1 14 . 1 1 10 10 LEU N N 10 110.452 110.452 119.198 -8.746 19355 903 1 14 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.171 0.230 19355 904 1 14 . 1 1 10 10 LEU C C 10 174.539 174.539 178.071 -3.532 19355 905 1 14 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.483 -0.267 19355 906 1 14 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.055 3.040 19355 907 1 14 . 1 1 10 10 LEU H H 10 7.719 7.719 7.950 -0.231 19355 908 1 14 . 1 1 11 11 VAL N N 11 111.103 111.103 116.869 -5.766 19355 909 1 14 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.252 0.141 19355 910 1 14 . 1 1 11 11 VAL C C 11 174.454 174.454 174.126 0.328 19355 911 1 14 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.388 -1.250 19355 912 1 14 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.602 1.405 19355 913 1 14 . 1 1 11 11 VAL H H 11 7.717 7.717 7.589 0.128 19355 914 1 14 . 1 1 12 12 GLY N N 12 115.582 115.582 110.394 5.188 19355 915 1 14 . 1 1 12 12 GLY C C 12 174.551 174.551 173.767 0.784 19355 916 1 14 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.254 -1.081 19355 917 1 14 . 1 1 12 12 GLY H H 12 8.980 8.980 8.099 0.881 19355 918 1 14 . 1 1 13 13 ARG N N 13 119.199 119.199 120.152 -0.953 19355 919 1 14 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.054 1.113 19355 920 1 14 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.419 -2.072 19355 921 1 14 . 1 1 13 13 ARG CB C 13 33.195 33.195 26.838 6.357 19355 922 1 14 . 1 1 13 13 ARG H H 13 7.082 7.082 8.244 -1.162 19355 923 1 14 . 1 1 14 14 ARG C C 14 175.104 175.104 176.328 -1.224 19355 924 1 14 . 1 1 14 14 ARG CB C 14 33.751 33.751 30.787 2.964 19355 925 1 15 . 1 1 2 2 LEU N N 2 118.463 118.463 118.156 0.307 19355 926 1 15 . 1 1 2 2 LEU HA H 2 4.528 4.528 5.152 -0.624 19355 927 1 15 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.791 -0.463 19355 928 1 15 . 1 1 2 2 LEU CB C 2 43.051 43.051 45.940 -2.889 19355 929 1 15 . 1 1 2 2 LEU H H 2 8.393 8.393 8.239 0.154 19355 930 1 15 . 1 1 3 3 ARG N N 3 116.545 116.545 119.769 -3.224 19355 931 1 15 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.523 -0.047 19355 932 1 15 . 1 1 3 3 ARG C C 3 173.577 173.577 178.319 -4.742 19355 933 1 15 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.036 -2.540 19355 934 1 15 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.540 -3.025 19355 935 1 15 . 1 1 3 3 ARG H H 3 7.860 7.860 8.117 -0.257 19355 936 1 15 . 1 1 4 4 ARG N N 4 114.271 114.271 120.678 -6.407 19355 937 1 15 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.136 0.259 19355 938 1 15 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.313 -0.348 19355 939 1 15 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.022 4.400 19355 940 1 15 . 1 1 4 4 ARG H H 4 7.140 7.140 7.858 -0.718 19355 941 1 15 . 1 1 5 5 LEU HA H 5 4.407 4.407 3.919 0.488 19355 942 1 15 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.207 -3.448 19355 943 1 15 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.363 4.527 19355 944 1 15 . 1 1 6 6 PHE N N 6 114.237 114.237 113.322 0.915 19355 945 1 15 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.509 -0.530 19355 946 1 15 . 1 1 6 6 PHE C C 6 174.252 174.252 173.757 0.495 19355 947 1 15 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.088 2.964 19355 948 1 15 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.980 -5.202 19355 949 1 15 . 1 1 6 6 PHE H H 6 8.414 8.414 7.506 0.908 19355 950 1 15 . 1 1 7 7 ALA N N 7 123.916 123.916 122.840 1.076 19355 951 1 15 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.783 -0.538 19355 952 1 15 . 1 1 7 7 ALA C C 7 178.138 178.138 176.242 1.896 19355 953 1 15 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.716 3.206 19355 954 1 15 . 1 1 7 7 ALA CB C 7 20.536 20.536 21.609 -1.073 19355 955 1 15 . 1 1 7 7 ALA H H 7 8.647 8.647 8.512 0.135 19355 956 1 15 . 1 1 8 8 ASN N N 8 118.947 118.947 121.163 -2.216 19355 957 1 15 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.835 -0.190 19355 958 1 15 . 1 1 8 8 ASN C C 8 174.376 174.376 176.399 -2.023 19355 959 1 15 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.773 -0.719 19355 960 1 15 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.502 0.010 19355 961 1 15 . 1 1 8 8 ASN H H 8 6.983 6.983 8.726 -1.743 19355 962 1 15 . 1 1 9 9 GLN N N 9 114.393 114.393 122.985 -8.592 19355 963 1 15 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.105 -0.516 19355 964 1 15 . 1 1 9 9 GLN C C 9 174.086 174.086 177.668 -3.582 19355 965 1 15 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.965 1.415 19355 966 1 15 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.856 0.713 19355 967 1 15 . 1 1 9 9 GLN H H 9 8.315 8.315 8.564 -0.249 19355 968 1 15 . 1 1 10 10 LEU N N 10 110.452 110.452 119.143 -8.691 19355 969 1 15 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.183 0.218 19355 970 1 15 . 1 1 10 10 LEU C C 10 174.539 174.539 178.016 -3.477 19355 971 1 15 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.325 -0.109 19355 972 1 15 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.094 3.001 19355 973 1 15 . 1 1 10 10 LEU H H 10 7.719 7.719 7.891 -0.172 19355 974 1 15 . 1 1 11 11 VAL N N 11 111.103 111.103 116.752 -5.649 19355 975 1 15 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.242 0.151 19355 976 1 15 . 1 1 11 11 VAL C C 11 174.454 174.454 174.116 0.338 19355 977 1 15 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.705 -1.567 19355 978 1 15 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.406 1.601 19355 979 1 15 . 1 1 11 11 VAL H H 11 7.717 7.717 7.556 0.161 19355 980 1 15 . 1 1 12 12 GLY N N 12 115.582 115.582 110.609 4.973 19355 981 1 15 . 1 1 12 12 GLY C C 12 174.551 174.551 174.059 0.492 19355 982 1 15 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.603 -1.430 19355 983 1 15 . 1 1 12 12 GLY H H 12 8.980 8.980 8.225 0.755 19355 984 1 15 . 1 1 13 13 ARG N N 13 119.199 119.199 119.522 -0.323 19355 985 1 15 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.166 1.001 19355 986 1 15 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.697 -2.350 19355 987 1 15 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.542 5.653 19355 988 1 15 . 1 1 13 13 ARG H H 13 7.082 7.082 8.070 -0.988 19355 989 1 15 . 1 1 14 14 ARG C C 14 175.104 175.104 174.687 0.417 19355 990 1 15 . 1 1 14 14 ARG CB C 14 33.751 33.751 30.674 3.078 19355 991 1 16 . 1 1 2 2 LEU N N 2 118.463 118.463 119.539 -1.076 19355 992 1 16 . 1 1 2 2 LEU HA H 2 4.528 4.528 5.209 -0.681 19355 993 1 16 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.298 0.030 19355 994 1 16 . 1 1 2 2 LEU CB C 2 43.051 43.051 44.817 -1.766 19355 995 1 16 . 1 1 2 2 LEU H H 2 8.393 8.393 8.276 0.117 19355 996 1 16 . 1 1 3 3 ARG N N 3 116.545 116.545 120.392 -3.847 19355 997 1 16 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.500 -0.024 19355 998 1 16 . 1 1 3 3 ARG C C 3 173.577 173.577 177.248 -3.671 19355 999 1 16 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.230 -2.734 19355 1000 1 16 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.350 -2.835 19355 1001 1 16 . 1 1 3 3 ARG H H 3 7.860 7.860 7.938 -0.078 19355 1002 1 16 . 1 1 4 4 ARG N N 4 114.271 114.271 119.298 -5.027 19355 1003 1 16 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.145 0.250 19355 1004 1 16 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.392 -0.428 19355 1005 1 16 . 1 1 4 4 ARG CB C 4 34.422 34.422 29.907 4.516 19355 1006 1 16 . 1 1 4 4 ARG H H 4 7.140 7.140 8.106 -0.966 19355 1007 1 16 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.110 0.297 19355 1008 1 16 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.295 -3.536 19355 1009 1 16 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.578 4.312 19355 1010 1 16 . 1 1 6 6 PHE N N 6 114.237 114.237 114.867 -0.630 19355 1011 1 16 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.515 -0.536 19355 1012 1 16 . 1 1 6 6 PHE C C 6 174.252 174.252 173.642 0.610 19355 1013 1 16 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.183 2.869 19355 1014 1 16 . 1 1 6 6 PHE CB C 6 36.777 36.777 40.864 -4.087 19355 1015 1 16 . 1 1 6 6 PHE H H 6 8.414 8.414 7.600 0.814 19355 1016 1 16 . 1 1 7 7 ALA N N 7 123.916 123.916 127.800 -3.884 19355 1017 1 16 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.591 -0.346 19355 1018 1 16 . 1 1 7 7 ALA C C 7 178.138 178.138 176.864 1.274 19355 1019 1 16 . 1 1 7 7 ALA CA C 7 53.922 53.922 51.829 2.093 19355 1020 1 16 . 1 1 7 7 ALA CB C 7 20.536 20.536 19.695 0.841 19355 1021 1 16 . 1 1 7 7 ALA H H 7 8.647 8.647 8.104 0.543 19355 1022 1 16 . 1 1 8 8 ASN N N 8 118.947 118.947 120.487 -1.540 19355 1023 1 16 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.852 -0.207 19355 1024 1 16 . 1 1 8 8 ASN C C 8 174.376 174.376 175.696 -1.320 19355 1025 1 16 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.342 -0.288 19355 1026 1 16 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.788 -0.275 19355 1027 1 16 . 1 1 8 8 ASN H H 8 6.983 6.983 8.408 -1.425 19355 1028 1 16 . 1 1 9 9 GLN N N 9 114.393 114.393 123.337 -8.944 19355 1029 1 16 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.072 -0.483 19355 1030 1 16 . 1 1 9 9 GLN C C 9 174.086 174.086 177.671 -3.585 19355 1031 1 16 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.818 1.562 19355 1032 1 16 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.777 0.792 19355 1033 1 16 . 1 1 9 9 GLN H H 9 8.315 8.315 8.538 -0.223 19355 1034 1 16 . 1 1 10 10 LEU N N 10 110.452 110.452 119.264 -8.812 19355 1035 1 16 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.153 0.248 19355 1036 1 16 . 1 1 10 10 LEU C C 10 174.539 174.539 178.091 -3.552 19355 1037 1 16 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.485 -0.269 19355 1038 1 16 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.026 3.070 19355 1039 1 16 . 1 1 10 10 LEU H H 10 7.719 7.719 7.960 -0.241 19355 1040 1 16 . 1 1 11 11 VAL N N 11 111.103 111.103 116.850 -5.747 19355 1041 1 16 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.247 0.146 19355 1042 1 16 . 1 1 11 11 VAL C C 11 174.454 174.454 174.119 0.335 19355 1043 1 16 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.356 -1.218 19355 1044 1 16 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.588 1.419 19355 1045 1 16 . 1 1 11 11 VAL H H 11 7.717 7.717 7.567 0.150 19355 1046 1 16 . 1 1 12 12 GLY N N 12 115.582 115.582 110.184 5.398 19355 1047 1 16 . 1 1 12 12 GLY C C 12 174.551 174.551 173.749 0.802 19355 1048 1 16 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.259 -1.086 19355 1049 1 16 . 1 1 12 12 GLY H H 12 8.980 8.980 8.094 0.886 19355 1050 1 16 . 1 1 13 13 ARG N N 13 119.199 119.199 119.482 -0.283 19355 1051 1 16 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.029 1.138 19355 1052 1 16 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.352 -2.005 19355 1053 1 16 . 1 1 13 13 ARG CB C 13 33.195 33.195 26.953 6.242 19355 1054 1 16 . 1 1 13 13 ARG H H 13 7.082 7.082 8.032 -0.950 19355 1055 1 16 . 1 1 14 14 ARG C C 14 175.104 175.104 176.086 -0.982 19355 1056 1 16 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.158 2.593 19355 1057 1 17 . 1 1 2 2 LEU N N 2 118.463 118.463 119.032 -0.569 19355 1058 1 17 . 1 1 2 2 LEU HA H 2 4.528 4.528 5.303 -0.775 19355 1059 1 17 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.333 -0.005 19355 1060 1 17 . 1 1 2 2 LEU CB C 2 43.051 43.051 45.361 -2.310 19355 1061 1 17 . 1 1 2 2 LEU H H 2 8.393 8.393 7.855 0.538 19355 1062 1 17 . 1 1 3 3 ARG N N 3 116.545 116.545 120.035 -3.490 19355 1063 1 17 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.510 -0.034 19355 1064 1 17 . 1 1 3 3 ARG C C 3 173.577 173.577 177.890 -4.313 19355 1065 1 17 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.009 -2.513 19355 1066 1 17 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.794 -3.279 19355 1067 1 17 . 1 1 3 3 ARG H H 3 7.860 7.860 8.330 -0.470 19355 1068 1 17 . 1 1 4 4 ARG N N 4 114.271 114.271 119.979 -5.708 19355 1069 1 17 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.153 0.242 19355 1070 1 17 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.483 -0.519 19355 1071 1 17 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.211 4.211 19355 1072 1 17 . 1 1 4 4 ARG H H 4 7.140 7.140 7.970 -0.830 19355 1073 1 17 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.084 0.323 19355 1074 1 17 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.200 -3.441 19355 1075 1 17 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.539 4.351 19355 1076 1 17 . 1 1 6 6 PHE N N 6 114.237 114.237 115.334 -1.097 19355 1077 1 17 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.550 -0.571 19355 1078 1 17 . 1 1 6 6 PHE C C 6 174.252 174.252 173.267 0.985 19355 1079 1 17 . 1 1 6 6 PHE CA C 6 60.052 60.052 56.752 3.300 19355 1080 1 17 . 1 1 6 6 PHE CB C 6 36.777 36.777 40.677 -3.900 19355 1081 1 17 . 1 1 6 6 PHE H H 6 8.414 8.414 7.563 0.851 19355 1082 1 17 . 1 1 7 7 ALA N N 7 123.916 123.916 128.725 -4.809 19355 1083 1 17 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.396 -0.151 19355 1084 1 17 . 1 1 7 7 ALA C C 7 178.138 178.138 176.313 1.825 19355 1085 1 17 . 1 1 7 7 ALA CA C 7 53.922 53.922 51.347 2.575 19355 1086 1 17 . 1 1 7 7 ALA CB C 7 20.536 20.536 19.554 0.982 19355 1087 1 17 . 1 1 7 7 ALA H H 7 8.647 8.647 8.241 0.406 19355 1088 1 17 . 1 1 8 8 ASN N N 8 118.947 118.947 121.146 -2.199 19355 1089 1 17 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.411 0.234 19355 1090 1 17 . 1 1 8 8 ASN C C 8 174.376 174.376 175.915 -1.539 19355 1091 1 17 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.730 -0.676 19355 1092 1 17 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.230 0.282 19355 1093 1 17 . 1 1 8 8 ASN H H 8 6.983 6.983 8.325 -1.341 19355 1094 1 17 . 1 1 9 9 GLN N N 9 114.393 114.393 122.990 -8.597 19355 1095 1 17 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.049 -0.460 19355 1096 1 17 . 1 1 9 9 GLN C C 9 174.086 174.086 177.719 -3.633 19355 1097 1 17 . 1 1 9 9 GLN CA C 9 59.380 59.380 58.055 1.325 19355 1098 1 17 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.811 0.758 19355 1099 1 17 . 1 1 9 9 GLN H H 9 8.315 8.315 8.457 -0.142 19355 1100 1 17 . 1 1 10 10 LEU N N 10 110.452 110.452 119.133 -8.681 19355 1101 1 17 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.162 0.239 19355 1102 1 17 . 1 1 10 10 LEU C C 10 174.539 174.539 178.022 -3.483 19355 1103 1 17 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.410 -0.194 19355 1104 1 17 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.035 3.060 19355 1105 1 17 . 1 1 10 10 LEU H H 10 7.719 7.719 7.888 -0.169 19355 1106 1 17 . 1 1 11 11 VAL N N 11 111.103 111.103 117.188 -6.085 19355 1107 1 17 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.192 0.201 19355 1108 1 17 . 1 1 11 11 VAL C C 11 174.454 174.454 174.150 0.304 19355 1109 1 17 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.755 -1.617 19355 1110 1 17 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.660 1.347 19355 1111 1 17 . 1 1 11 11 VAL H H 11 7.717 7.717 7.558 0.159 19355 1112 1 17 . 1 1 12 12 GLY N N 12 115.582 115.582 111.907 3.675 19355 1113 1 17 . 1 1 12 12 GLY C C 12 174.551 174.551 173.874 0.677 19355 1114 1 17 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.766 -1.593 19355 1115 1 17 . 1 1 12 12 GLY H H 12 8.980 8.980 8.021 0.959 19355 1116 1 17 . 1 1 13 13 ARG N N 13 119.199 119.199 118.880 0.319 19355 1117 1 17 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.018 1.149 19355 1118 1 17 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.609 -2.262 19355 1119 1 17 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.017 6.178 19355 1120 1 17 . 1 1 13 13 ARG H H 13 7.082 7.082 8.083 -1.001 19355 1121 1 17 . 1 1 14 14 ARG C C 14 175.104 175.104 174.992 0.112 19355 1122 1 17 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.258 2.493 19355 1123 1 18 . 1 1 2 2 LEU N N 2 118.463 118.463 117.640 0.823 19355 1124 1 18 . 1 1 2 2 LEU HA H 2 4.528 4.528 5.122 -0.594 19355 1125 1 18 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.374 -0.046 19355 1126 1 18 . 1 1 2 2 LEU CB C 2 43.051 43.051 46.010 -2.958 19355 1127 1 18 . 1 1 2 2 LEU H H 2 8.393 8.393 8.288 0.105 19355 1128 1 18 . 1 1 3 3 ARG N N 3 116.545 116.545 120.979 -4.434 19355 1129 1 18 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.598 -0.122 19355 1130 1 18 . 1 1 3 3 ARG C C 3 173.577 173.577 177.290 -3.713 19355 1131 1 18 . 1 1 3 3 ARG CA C 3 54.496 54.496 56.944 -2.448 19355 1132 1 18 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.642 -3.127 19355 1133 1 18 . 1 1 3 3 ARG H H 3 7.860 7.860 8.278 -0.418 19355 1134 1 18 . 1 1 4 4 ARG N N 4 114.271 114.271 119.224 -4.953 19355 1135 1 18 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.178 0.217 19355 1136 1 18 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.297 -0.332 19355 1137 1 18 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.393 4.029 19355 1138 1 18 . 1 1 4 4 ARG H H 4 7.140 7.140 7.904 -0.764 19355 1139 1 18 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.087 0.320 19355 1140 1 18 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.187 -3.428 19355 1141 1 18 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.564 4.326 19355 1142 1 18 . 1 1 6 6 PHE N N 6 114.237 114.237 114.039 0.198 19355 1143 1 18 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.504 -0.525 19355 1144 1 18 . 1 1 6 6 PHE C C 6 174.252 174.252 173.548 0.704 19355 1145 1 18 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.395 2.657 19355 1146 1 18 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.391 -4.614 19355 1147 1 18 . 1 1 6 6 PHE H H 6 8.414 8.414 7.535 0.879 19355 1148 1 18 . 1 1 7 7 ALA N N 7 123.916 123.916 124.120 -0.204 19355 1149 1 18 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.402 -0.157 19355 1150 1 18 . 1 1 7 7 ALA C C 7 178.138 178.138 176.113 2.025 19355 1151 1 18 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.345 3.577 19355 1152 1 18 . 1 1 7 7 ALA CB C 7 20.536 20.536 20.524 0.012 19355 1153 1 18 . 1 1 7 7 ALA H H 7 8.647 8.647 7.291 1.356 19355 1154 1 18 . 1 1 8 8 ASN N N 8 118.947 118.947 122.924 -3.977 19355 1155 1 18 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.775 -0.130 19355 1156 1 18 . 1 1 8 8 ASN C C 8 174.376 174.376 176.709 -2.333 19355 1157 1 18 . 1 1 8 8 ASN CA C 8 52.054 52.054 53.185 -1.131 19355 1158 1 18 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.196 0.316 19355 1159 1 18 . 1 1 8 8 ASN H H 8 6.983 6.983 8.681 -1.698 19355 1160 1 18 . 1 1 9 9 GLN N N 9 114.393 114.393 122.826 -8.433 19355 1161 1 18 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.080 -0.491 19355 1162 1 18 . 1 1 9 9 GLN C C 9 174.086 174.086 177.572 -3.486 19355 1163 1 18 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.950 1.430 19355 1164 1 18 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.836 0.733 19355 1165 1 18 . 1 1 9 9 GLN H H 9 8.315 8.315 8.577 -0.262 19355 1166 1 18 . 1 1 10 10 LEU N N 10 110.452 110.452 119.137 -8.685 19355 1167 1 18 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.175 0.226 19355 1168 1 18 . 1 1 10 10 LEU C C 10 174.539 174.539 177.991 -3.452 19355 1169 1 18 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.431 -0.215 19355 1170 1 18 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.099 2.996 19355 1171 1 18 . 1 1 10 10 LEU H H 10 7.719 7.719 7.960 -0.241 19355 1172 1 18 . 1 1 11 11 VAL N N 11 111.103 111.103 116.750 -5.647 19355 1173 1 18 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.225 0.168 19355 1174 1 18 . 1 1 11 11 VAL C C 11 174.454 174.454 174.144 0.310 19355 1175 1 18 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.874 -1.736 19355 1176 1 18 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.307 1.700 19355 1177 1 18 . 1 1 11 11 VAL H H 11 7.717 7.717 7.515 0.202 19355 1178 1 18 . 1 1 12 12 GLY N N 12 115.582 115.582 111.879 3.703 19355 1179 1 18 . 1 1 12 12 GLY C C 12 174.551 174.551 173.901 0.650 19355 1180 1 18 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.366 -1.193 19355 1181 1 18 . 1 1 12 12 GLY H H 12 8.980 8.980 8.342 0.638 19355 1182 1 18 . 1 1 13 13 ARG N N 13 119.199 119.199 119.155 0.044 19355 1183 1 18 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.125 1.042 19355 1184 1 18 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.753 -2.406 19355 1185 1 18 . 1 1 13 13 ARG CB C 13 33.195 33.195 28.123 5.072 19355 1186 1 18 . 1 1 13 13 ARG H H 13 7.082 7.082 8.346 -1.264 19355 1187 1 18 . 1 1 14 14 ARG C C 14 175.104 175.104 174.595 0.509 19355 1188 1 18 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.133 2.618 19355 1189 1 19 . 1 1 2 2 LEU N N 2 118.463 118.463 118.364 0.099 19355 1190 1 19 . 1 1 2 2 LEU HA H 2 4.528 4.528 5.112 -0.584 19355 1191 1 19 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.115 0.213 19355 1192 1 19 . 1 1 2 2 LEU CB C 2 43.051 43.051 45.938 -2.887 19355 1193 1 19 . 1 1 2 2 LEU H H 2 8.393 8.393 7.968 0.425 19355 1194 1 19 . 1 1 3 3 ARG N N 3 116.545 116.545 119.908 -3.363 19355 1195 1 19 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.465 0.011 19355 1196 1 19 . 1 1 3 3 ARG C C 3 173.577 173.577 177.322 -3.745 19355 1197 1 19 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.081 -2.585 19355 1198 1 19 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.872 -3.357 19355 1199 1 19 . 1 1 3 3 ARG H H 3 7.860 7.860 8.254 -0.394 19355 1200 1 19 . 1 1 4 4 ARG N N 4 114.271 114.271 119.998 -5.727 19355 1201 1 19 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.157 0.238 19355 1202 1 19 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.269 -0.304 19355 1203 1 19 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.287 4.136 19355 1204 1 19 . 1 1 4 4 ARG H H 4 7.140 7.140 7.995 -0.855 19355 1205 1 19 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.104 0.303 19355 1206 1 19 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.055 -3.296 19355 1207 1 19 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.490 4.400 19355 1208 1 19 . 1 1 6 6 PHE N N 6 114.237 114.237 113.823 0.414 19355 1209 1 19 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.472 -0.493 19355 1210 1 19 . 1 1 6 6 PHE C C 6 174.252 174.252 173.530 0.722 19355 1211 1 19 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.228 2.824 19355 1212 1 19 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.514 -4.737 19355 1213 1 19 . 1 1 6 6 PHE H H 6 8.414 8.414 7.534 0.880 19355 1214 1 19 . 1 1 7 7 ALA N N 7 123.916 123.916 123.092 0.824 19355 1215 1 19 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.620 -0.375 19355 1216 1 19 . 1 1 7 7 ALA C C 7 178.138 178.138 176.149 1.989 19355 1217 1 19 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.502 3.420 19355 1218 1 19 . 1 1 7 7 ALA CB C 7 20.536 20.536 20.929 -0.393 19355 1219 1 19 . 1 1 7 7 ALA H H 7 8.647 8.647 7.579 1.068 19355 1220 1 19 . 1 1 8 8 ASN N N 8 118.947 118.947 122.135 -3.188 19355 1221 1 19 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.817 -0.172 19355 1222 1 19 . 1 1 8 8 ASN C C 8 174.376 174.376 176.281 -1.905 19355 1223 1 19 . 1 1 8 8 ASN CA C 8 52.054 52.054 53.020 -0.966 19355 1224 1 19 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.234 0.278 19355 1225 1 19 . 1 1 8 8 ASN H H 8 6.983 6.983 8.702 -1.719 19355 1226 1 19 . 1 1 9 9 GLN N N 9 114.393 114.393 123.293 -8.900 19355 1227 1 19 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.100 -0.511 19355 1228 1 19 . 1 1 9 9 GLN C C 9 174.086 174.086 177.540 -3.454 19355 1229 1 19 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.826 1.554 19355 1230 1 19 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.908 0.661 19355 1231 1 19 . 1 1 9 9 GLN H H 9 8.315 8.315 8.560 -0.245 19355 1232 1 19 . 1 1 10 10 LEU N N 10 110.452 110.452 119.226 -8.774 19355 1233 1 19 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.181 0.220 19355 1234 1 19 . 1 1 10 10 LEU C C 10 174.539 174.539 178.072 -3.533 19355 1235 1 19 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.399 -0.183 19355 1236 1 19 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.071 3.024 19355 1237 1 19 . 1 1 10 10 LEU H H 10 7.719 7.719 7.949 -0.230 19355 1238 1 19 . 1 1 11 11 VAL N N 11 111.103 111.103 117.281 -6.178 19355 1239 1 19 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.269 0.124 19355 1240 1 19 . 1 1 11 11 VAL C C 11 174.454 174.454 174.113 0.341 19355 1241 1 19 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.455 -1.317 19355 1242 1 19 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.628 1.379 19355 1243 1 19 . 1 1 11 11 VAL H H 11 7.717 7.717 7.595 0.122 19355 1244 1 19 . 1 1 12 12 GLY N N 12 115.582 115.582 110.717 4.865 19355 1245 1 19 . 1 1 12 12 GLY C C 12 174.551 174.551 173.861 0.690 19355 1246 1 19 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.121 -0.948 19355 1247 1 19 . 1 1 12 12 GLY H H 12 8.980 8.980 8.151 0.829 19355 1248 1 19 . 1 1 13 13 ARG N N 13 119.199 119.199 118.504 0.695 19355 1249 1 19 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.045 1.122 19355 1250 1 19 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.576 -2.229 19355 1251 1 19 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.395 5.800 19355 1252 1 19 . 1 1 13 13 ARG H H 13 7.082 7.082 8.317 -1.235 19355 1253 1 19 . 1 1 14 14 ARG C C 14 175.104 175.104 174.989 0.115 19355 1254 1 19 . 1 1 14 14 ARG CB C 14 33.751 33.751 30.929 2.822 19355 1255 1 20 . 1 1 2 2 LEU N N 2 118.463 118.463 117.458 1.005 19355 1256 1 20 . 1 1 2 2 LEU HA H 2 4.528 4.528 5.146 -0.618 19355 1257 1 20 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.706 -0.379 19355 1258 1 20 . 1 1 2 2 LEU CB C 2 43.051 43.051 46.150 -3.099 19355 1259 1 20 . 1 1 2 2 LEU H H 2 8.393 8.393 8.296 0.097 19355 1260 1 20 . 1 1 3 3 ARG N N 3 116.545 116.545 120.466 -3.921 19355 1261 1 20 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.561 -0.085 19355 1262 1 20 . 1 1 3 3 ARG C C 3 173.577 173.577 177.032 -3.455 19355 1263 1 20 . 1 1 3 3 ARG CA C 3 54.496 54.496 56.918 -2.422 19355 1264 1 20 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.437 -2.922 19355 1265 1 20 . 1 1 3 3 ARG H H 3 7.860 7.860 8.151 -0.291 19355 1266 1 20 . 1 1 4 4 ARG N N 4 114.271 114.271 119.661 -5.390 19355 1267 1 20 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.190 0.205 19355 1268 1 20 . 1 1 4 4 ARG CA C 4 57.965 57.965 57.989 -0.024 19355 1269 1 20 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.070 4.352 19355 1270 1 20 . 1 1 4 4 ARG H H 4 7.140 7.140 8.001 -0.861 19355 1271 1 20 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.095 0.312 19355 1272 1 20 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.153 -3.394 19355 1273 1 20 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.383 4.507 19355 1274 1 20 . 1 1 6 6 PHE N N 6 114.237 114.237 114.182 0.055 19355 1275 1 20 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.499 -0.520 19355 1276 1 20 . 1 1 6 6 PHE C C 6 174.252 174.252 173.574 0.678 19355 1277 1 20 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.361 2.691 19355 1278 1 20 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.370 -4.593 19355 1279 1 20 . 1 1 6 6 PHE H H 6 8.414 8.414 7.552 0.862 19355 1280 1 20 . 1 1 7 7 ALA N N 7 123.916 123.916 123.719 0.197 19355 1281 1 20 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.393 -0.148 19355 1282 1 20 . 1 1 7 7 ALA C C 7 178.138 178.138 175.849 2.289 19355 1283 1 20 . 1 1 7 7 ALA CA C 7 53.922 53.922 50.373 3.550 19355 1284 1 20 . 1 1 7 7 ALA CB C 7 20.536 20.536 21.165 -0.629 19355 1285 1 20 . 1 1 7 7 ALA H H 7 8.647 8.647 7.272 1.375 19355 1286 1 20 . 1 1 8 8 ASN N N 8 118.947 118.947 121.808 -2.861 19355 1287 1 20 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.863 -0.218 19355 1288 1 20 . 1 1 8 8 ASN C C 8 174.376 174.376 176.376 -2.000 19355 1289 1 20 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.878 -0.824 19355 1290 1 20 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.344 0.168 19355 1291 1 20 . 1 1 8 8 ASN H H 8 6.983 6.983 8.694 -1.711 19355 1292 1 20 . 1 1 9 9 GLN N N 9 114.393 114.393 123.186 -8.793 19355 1293 1 20 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.117 -0.528 19355 1294 1 20 . 1 1 9 9 GLN C C 9 174.086 174.086 177.667 -3.581 19355 1295 1 20 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.991 1.389 19355 1296 1 20 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.847 0.722 19355 1297 1 20 . 1 1 9 9 GLN H H 9 8.315 8.315 8.614 -0.299 19355 1298 1 20 . 1 1 10 10 LEU N N 10 110.452 110.452 119.134 -8.682 19355 1299 1 20 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.180 0.221 19355 1300 1 20 . 1 1 10 10 LEU C C 10 174.539 174.539 178.028 -3.489 19355 1301 1 20 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.366 -0.150 19355 1302 1 20 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.109 2.986 19355 1303 1 20 . 1 1 10 10 LEU H H 10 7.719 7.719 7.939 -0.220 19355 1304 1 20 . 1 1 11 11 VAL N N 11 111.103 111.103 116.538 -5.435 19355 1305 1 20 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.231 0.162 19355 1306 1 20 . 1 1 11 11 VAL C C 11 174.454 174.454 174.145 0.309 19355 1307 1 20 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.723 -1.585 19355 1308 1 20 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.317 1.690 19355 1309 1 20 . 1 1 11 11 VAL H H 11 7.717 7.717 7.540 0.177 19355 1310 1 20 . 1 1 12 12 GLY N N 12 115.582 115.582 110.810 4.772 19355 1311 1 20 . 1 1 12 12 GLY C C 12 174.551 174.551 173.586 0.965 19355 1312 1 20 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.457 -1.284 19355 1313 1 20 . 1 1 12 12 GLY H H 12 8.980 8.980 8.188 0.792 19355 1314 1 20 . 1 1 13 13 ARG N N 13 119.199 119.199 118.474 0.725 19355 1315 1 20 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.058 1.109 19355 1316 1 20 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.664 -2.317 19355 1317 1 20 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.861 5.334 19355 1318 1 20 . 1 1 13 13 ARG H H 13 7.082 7.082 8.220 -1.138 19355 1319 1 20 . 1 1 14 14 ARG C C 14 175.104 175.104 174.564 0.540 19355 1320 1 20 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.239 2.511 19355 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 11 5.030 3.525 3.764 19355 2 1 1 "Average Difference" HA 13 0.578 -0.024 0.602 19355 3 1 1 "Average Difference" C 9 2.510 1.348 2.246 19355 4 1 1 "Average Difference" CA 12 2.140 0.741 2.097 19355 5 1 1 "Average Difference" CB 12 3.079 -1.327 2.902 19355 6 1 1 "Average Difference" HN 11 0.797 0.239 0.798 19355 7 1 2 "Average Difference" N 11 4.876 2.816 4.175 19355 8 1 2 "Average Difference" HA 13 0.557 -0.027 0.579 19355 9 1 2 "Average Difference" C 9 2.297 0.815 2.278 19355 10 1 2 "Average Difference" CA 12 2.145 0.428 2.195 19355 11 1 2 "Average Difference" CB 12 3.144 -0.760 3.186 19355 12 1 2 "Average Difference" HN 11 0.982 0.181 1.012 19355 13 1 3 "Average Difference" N 11 4.843 2.677 4.232 19355 14 1 3 "Average Difference" HA 13 0.559 -0.069 0.577 19355 15 1 3 "Average Difference" C 9 2.385 0.965 2.313 19355 16 1 3 "Average Difference" CA 12 2.253 0.417 2.313 19355 17 1 3 "Average Difference" CB 12 3.157 -0.867 3.171 19355 18 1 3 "Average Difference" HN 11 0.917 0.085 0.957 19355 19 1 4 "Average Difference" N 11 4.947 3.206 3.952 19355 20 1 4 "Average Difference" HA 13 0.569 -0.094 0.584 19355 21 1 4 "Average Difference" C 9 2.330 0.878 2.289 19355 22 1 4 "Average Difference" CA 12 2.065 0.423 2.111 19355 23 1 4 "Average Difference" CB 12 3.074 -1.214 2.949 19355 24 1 4 "Average Difference" HN 11 0.764 0.120 0.791 19355 25 1 5 "Average Difference" N 11 4.777 3.390 3.531 19355 26 1 5 "Average Difference" HA 13 0.557 -0.056 0.577 19355 27 1 5 "Average Difference" C 9 2.303 1.200 2.084 19355 28 1 5 "Average Difference" CA 12 2.097 0.800 2.024 19355 29 1 5 "Average Difference" CB 12 3.038 -1.288 2.874 19355 30 1 5 "Average Difference" HN 11 0.809 0.235 0.812 19355 31 1 6 "Average Difference" N 11 4.758 2.579 4.194 19355 32 1 6 "Average Difference" HA 13 0.554 -0.071 0.571 19355 33 1 6 "Average Difference" C 9 2.464 1.025 2.377 19355 34 1 6 "Average Difference" CA 12 2.131 0.481 2.168 19355 35 1 6 "Average Difference" CB 12 3.172 -0.749 3.219 19355 36 1 6 "Average Difference" HN 11 0.881 0.219 0.895 19355 37 1 7 "Average Difference" N 11 4.817 3.280 3.700 19355 38 1 7 "Average Difference" HA 13 0.563 -0.104 0.576 19355 39 1 7 "Average Difference" C 9 2.364 1.204 2.158 19355 40 1 7 "Average Difference" CA 12 1.881 0.731 1.811 19355 41 1 7 "Average Difference" CB 12 3.168 -1.177 3.072 19355 42 1 7 "Average Difference" HN 11 0.801 0.260 0.794 19355 43 1 8 "Average Difference" N 11 5.080 3.236 4.107 19355 44 1 8 "Average Difference" HA 13 0.526 -0.047 0.545 19355 45 1 8 "Average Difference" C 9 2.410 1.264 2.176 19355 46 1 8 "Average Difference" CA 12 1.623 0.426 1.636 19355 47 1 8 "Average Difference" CB 12 3.124 -1.127 3.043 19355 48 1 8 "Average Difference" HN 11 0.811 0.253 0.808 19355 49 1 9 "Average Difference" N 11 4.749 2.761 4.053 19355 50 1 9 "Average Difference" HA 13 0.566 -0.024 0.588 19355 51 1 9 "Average Difference" C 9 2.271 0.992 2.167 19355 52 1 9 "Average Difference" CA 12 2.130 0.565 2.145 19355 53 1 9 "Average Difference" CB 12 2.839 -1.021 2.766 19355 54 1 9 "Average Difference" HN 11 0.741 0.194 0.750 19355 55 1 10 "Average Difference" N 11 4.734 2.729 4.057 19355 56 1 10 "Average Difference" HA 13 0.560 -0.069 0.579 19355 57 1 10 "Average Difference" C 9 2.272 0.932 2.198 19355 58 1 10 "Average Difference" CA 12 2.177 0.568 2.195 19355 59 1 10 "Average Difference" CB 12 3.259 -1.042 3.226 19355 60 1 10 "Average Difference" HN 11 0.852 0.117 0.885 19355 61 1 11 "Average Difference" N 11 4.852 2.500 4.361 19355 62 1 11 "Average Difference" HA 13 0.573 -0.037 0.595 19355 63 1 11 "Average Difference" C 9 2.387 0.893 2.348 19355 64 1 11 "Average Difference" CA 12 2.085 0.455 2.126 19355 65 1 11 "Average Difference" CB 12 3.247 -1.106 3.189 19355 66 1 11 "Average Difference" HN 11 0.852 0.095 0.888 19355 67 1 12 "Average Difference" N 11 4.992 2.577 4.484 19355 68 1 12 "Average Difference" HA 13 0.588 -0.037 0.611 19355 69 1 12 "Average Difference" C 9 2.481 1.006 2.406 19355 70 1 12 "Average Difference" CA 12 2.017 0.362 2.072 19355 71 1 12 "Average Difference" CB 12 3.305 -0.902 3.321 19355 72 1 12 "Average Difference" HN 11 0.874 0.090 0.912 19355 73 1 13 "Average Difference" N 11 4.853 2.372 4.440 19355 74 1 13 "Average Difference" HA 13 0.602 -0.018 0.626 19355 75 1 13 "Average Difference" C 9 2.246 1.045 2.109 19355 76 1 13 "Average Difference" CA 12 2.017 0.395 2.066 19355 77 1 13 "Average Difference" CB 12 3.440 -0.832 3.486 19355 78 1 13 "Average Difference" HN 11 0.752 0.195 0.761 19355 79 1 14 "Average Difference" N 11 5.057 3.225 4.086 19355 80 1 14 "Average Difference" HA 13 0.577 -0.065 0.597 19355 81 1 14 "Average Difference" C 9 2.307 1.255 2.053 19355 82 1 14 "Average Difference" CA 12 1.946 0.610 1.930 19355 83 1 14 "Average Difference" CB 12 3.243 -1.344 3.083 19355 84 1 14 "Average Difference" HN 11 0.747 0.132 0.771 19355 85 1 15 "Average Difference" N 11 4.904 2.530 4.406 19355 86 1 15 "Average Difference" HA 13 0.593 -0.031 0.616 19355 87 1 15 "Average Difference" C 9 2.492 1.132 2.354 19355 88 1 15 "Average Difference" CA 12 2.047 0.449 2.086 19355 89 1 15 "Average Difference" CB 12 3.404 -0.900 3.429 19355 90 1 15 "Average Difference" HN 11 0.748 0.183 0.760 19355 91 1 16 "Average Difference" N 11 5.036 3.127 4.141 19355 92 1 16 "Average Difference" HA 13 0.599 -0.046 0.621 19355 93 1 16 "Average Difference" C 9 2.221 1.121 2.034 19355 94 1 16 "Average Difference" CA 12 1.872 0.418 1.906 19355 95 1 16 "Average Difference" CB 12 3.232 -1.235 3.120 19355 96 1 16 "Average Difference" HN 11 0.724 0.125 0.748 19355 97 1 17 "Average Difference" N 11 4.992 3.386 3.848 19355 98 1 17 "Average Difference" HA 13 0.609 -0.095 0.626 19355 99 1 17 "Average Difference" C 9 2.384 1.007 2.292 19355 100 1 17 "Average Difference" CA 12 2.010 0.468 2.041 19355 101 1 17 "Average Difference" CB 12 3.229 -1.181 3.139 19355 102 1 17 "Average Difference" HN 11 0.731 0.095 0.761 19355 103 1 18 "Average Difference" N 11 4.795 2.870 4.029 19355 104 1 18 "Average Difference" HA 13 0.556 -0.033 0.577 19355 105 1 18 "Average Difference" C 9 2.326 0.976 2.239 19355 106 1 18 "Average Difference" CA 12 2.068 0.439 2.110 19355 107 1 18 "Average Difference" CB 12 3.160 -0.925 3.156 19355 108 1 18 "Average Difference" HN 11 0.876 0.133 0.908 19355 109 1 19 "Average Difference" N 11 4.988 2.658 4.427 19355 110 1 19 "Average Difference" HA 13 0.579 -0.041 0.601 19355 111 1 19 "Average Difference" C 9 2.289 0.976 2.196 19355 112 1 19 "Average Difference" CA 12 2.007 0.318 2.070 19355 113 1 19 "Average Difference" CB 12 3.314 -0.927 3.324 19355 114 1 19 "Average Difference" HN 11 0.867 0.123 0.901 19355 115 1 20 "Average Difference" N 11 4.854 2.575 4.316 19355 116 1 20 "Average Difference" HA 13 0.575 -0.038 0.597 19355 117 1 20 "Average Difference" C 9 2.308 0.860 2.272 19355 118 1 20 "Average Difference" CA 12 2.032 0.396 2.081 19355 119 1 20 "Average Difference" CB 12 3.240 -0.919 3.245 19355 120 1 20 "Average Difference" HN 11 0.879 0.111 0.914 19355 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 19355 _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 2 2 LEU N N 2 118.463 118.463 118.713 -0.250 19355 2 1 . 1 1 2 2 LEU HA H 2 4.528 4.528 4.977 -0.449 19355 3 1 . 1 1 2 2 LEU CA C 2 53.328 53.328 53.954 -0.626 19355 4 1 . 1 1 2 2 LEU CB C 2 43.051 43.051 45.211 -2.160 19355 5 1 . 1 1 2 2 LEU H H 2 8.393 8.393 8.189 0.204 19355 6 1 . 1 1 3 3 ARG N N 3 116.545 116.545 120.478 -3.933 19355 7 1 . 1 1 3 3 ARG HA H 3 4.476 4.476 4.463 0.013 19355 8 1 . 1 1 3 3 ARG C C 3 173.577 173.577 177.596 -4.019 19355 9 1 . 1 1 3 3 ARG CA C 3 54.496 54.496 57.456 -2.960 19355 10 1 . 1 1 3 3 ARG CB C 3 28.515 28.515 31.471 -2.956 19355 11 1 . 1 1 3 3 ARG H H 3 7.860 7.860 8.273 -0.412 19355 12 1 . 1 1 4 4 ARG N N 4 114.271 114.271 119.273 -5.002 19355 13 1 . 1 1 4 4 ARG HA H 4 4.395 4.395 4.202 0.193 19355 14 1 . 1 1 4 4 ARG CA C 4 57.965 57.965 58.051 -0.086 19355 15 1 . 1 1 4 4 ARG CB C 4 34.422 34.422 30.160 4.262 19355 16 1 . 1 1 4 4 ARG H H 4 7.140 7.140 8.038 -0.898 19355 17 1 . 1 1 5 5 LEU HA H 5 4.407 4.407 4.090 0.317 19355 18 1 . 1 1 5 5 LEU CA C 5 53.759 53.759 57.137 -3.378 19355 19 1 . 1 1 5 5 LEU CB C 5 46.890 46.890 42.473 4.417 19355 20 1 . 1 1 6 6 PHE N N 6 114.237 114.237 114.560 -0.323 19355 21 1 . 1 1 6 6 PHE HA H 6 3.979 3.979 4.486 -0.507 19355 22 1 . 1 1 6 6 PHE C C 6 174.252 174.252 173.612 0.640 19355 23 1 . 1 1 6 6 PHE CA C 6 60.052 60.052 57.336 2.716 19355 24 1 . 1 1 6 6 PHE CB C 6 36.777 36.777 41.122 -4.345 19355 25 1 . 1 1 6 6 PHE H H 6 8.414 8.414 7.574 0.840 19355 26 1 . 1 1 7 7 ALA N N 7 123.916 123.916 125.359 -1.443 19355 27 1 . 1 1 7 7 ALA HA H 7 4.245 4.245 4.602 -0.357 19355 28 1 . 1 1 7 7 ALA C C 7 178.138 178.138 176.356 1.782 19355 29 1 . 1 1 7 7 ALA CA C 7 53.922 53.922 51.033 2.889 19355 30 1 . 1 1 7 7 ALA CB C 7 20.536 20.536 20.512 0.024 19355 31 1 . 1 1 7 7 ALA H H 7 8.647 8.647 7.857 0.790 19355 32 1 . 1 1 8 8 ASN N N 8 118.947 118.947 121.005 -2.058 19355 33 1 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.810 -0.165 19355 34 1 . 1 1 8 8 ASN C C 8 174.376 174.376 176.146 -1.770 19355 35 1 . 1 1 8 8 ASN CA C 8 52.054 52.054 52.677 -0.623 19355 36 1 . 1 1 8 8 ASN CB C 8 39.512 39.512 39.604 -0.092 19355 37 1 . 1 1 8 8 ASN H H 8 6.983 6.983 8.608 -1.625 19355 38 1 . 1 1 9 9 GLN N N 9 114.393 114.393 123.007 -8.614 19355 39 1 . 1 1 9 9 GLN HA H 9 3.589 3.589 4.097 -0.508 19355 40 1 . 1 1 9 9 GLN C C 9 174.086 174.086 177.660 -3.574 19355 41 1 . 1 1 9 9 GLN CA C 9 59.380 59.380 57.967 1.413 19355 42 1 . 1 1 9 9 GLN CB C 9 29.569 29.569 28.840 0.729 19355 43 1 . 1 1 9 9 GLN H H 9 8.315 8.315 8.591 -0.276 19355 44 1 . 1 1 10 10 LEU N N 10 110.452 110.452 119.176 -8.724 19355 45 1 . 1 1 10 10 LEU HA H 10 4.401 4.401 4.176 0.225 19355 46 1 . 1 1 10 10 LEU C C 10 174.539 174.539 178.033 -3.494 19355 47 1 . 1 1 10 10 LEU CA C 10 56.216 56.216 56.390 -0.173 19355 48 1 . 1 1 10 10 LEU CB C 10 45.095 45.095 42.078 3.018 19355 49 1 . 1 1 10 10 LEU H H 10 7.719 7.719 7.925 -0.206 19355 50 1 . 1 1 11 11 VAL N N 11 111.103 111.103 116.926 -5.823 19355 51 1 . 1 1 11 11 VAL HA H 11 4.393 4.393 4.242 0.151 19355 52 1 . 1 1 11 11 VAL C C 11 174.454 174.454 174.144 0.310 19355 53 1 . 1 1 11 11 VAL CA C 11 60.138 60.138 61.648 -1.510 19355 54 1 . 1 1 11 11 VAL CB C 11 35.007 35.007 33.444 1.563 19355 55 1 . 1 1 11 11 VAL H H 11 7.717 7.717 7.562 0.155 19355 56 1 . 1 1 12 12 GLY N N 12 115.582 115.582 111.114 4.468 19355 57 1 . 1 1 12 12 GLY C C 12 174.551 174.551 173.698 0.853 19355 58 1 . 1 1 12 12 GLY CA C 12 44.173 44.173 45.458 -1.285 19355 59 1 . 1 1 12 12 GLY H H 12 8.980 8.980 8.169 0.811 19355 60 1 . 1 1 13 13 ARG N N 13 119.199 119.199 119.406 -0.207 19355 61 1 . 1 1 13 13 ARG HA H 13 5.167 5.167 4.082 1.085 19355 62 1 . 1 1 13 13 ARG CA C 13 54.347 54.347 56.656 -2.309 19355 63 1 . 1 1 13 13 ARG CB C 13 33.195 33.195 27.571 5.624 19355 64 1 . 1 1 13 13 ARG H H 13 7.082 7.082 8.216 -1.134 19355 65 1 . 1 1 14 14 ARG C C 14 175.104 175.104 175.234 -0.130 19355 66 1 . 1 1 14 14 ARG CB C 14 33.751 33.751 31.329 2.422 19355 stop_ save_