============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TYR 2 0.840 -16.741 0.295 -14.249 -99.200 -91.000 PHE 4 1.000 -20.858 -1.111 -24.342 -99.200 -91.000 PHE 12 1.000 -31.419 10.448 -41.742 -99.200 -91.000 TRP 17 1.040 -24.596 16.211 -46.697 -99.200 -91.000 TRP6 17 1.020 -24.677 16.109 -44.324 -99.200 -91.000 TRP 25 1.040 -18.977 7.916 -24.743 -99.200 -91.000 TRP6 25 1.020 -16.993 9.163 -24.335 -99.200 -91.000 HIS 32 0.900 -15.949 -0.437 -29.287 -99.200 -91.000 TRP 34 1.040 -18.866 2.507 -38.295 -99.200 -91.000 TRP6 34 1.020 -20.894 1.307 -38.473 -99.200 -91.000 PHE 43 1.000 -11.483 -3.271 -32.079 -99.200 -91.000 TRP 47 1.040 -8.847 -1.503 -22.562 -99.200 -91.000 TRP6 47 1.020 -11.068 -0.685 -22.165 -99.200 -91.000 TRP 57 1.040 -14.937 -6.532 -34.019 -99.200 -91.000 TRP6 57 1.020 -16.241 -5.156 -32.581 -99.200 -91.000 HIS 62 0.900 -22.622 -8.925 -42.729 -99.200 -91.000 PHE 64 1.000 -23.791 -3.118 -33.927 -99.200 -91.000 TYR 67 0.840 -28.626 0.345 -37.046 -99.200 -91.000 PHE 71 1.000 -31.364 5.137 -38.362 -99.200 -91.000 TYR 88 0.840 -35.216 15.341 -45.760 -99.200 -91.000 TYR 101 0.840 -27.703 -2.216 -12.312 -99.200 -91.000 PHE 109 1.000 -28.822 2.270 -21.881 -99.200 -91.000 HIS 111 0.900 -34.363 4.900 -23.199 -99.200 -91.000 PHE 114 1.000 -38.472 13.665 -35.682 -99.200 -91.000 TYR 118 0.840 -37.251 8.252 -24.194 -99.200 -91.000 PHE 122 1.000 -36.996 -4.176 -28.807 -99.200 -91.000 TRP 123 1.040 -40.348 -2.120 -21.285 -99.200 -91.000 TRP6 123 1.020 -38.497 -1.651 -19.867 -99.200 -91.000 TRP 127 1.040 -38.609 -1.509 -32.713 -99.200 -91.000 TRP6 127 1.020 -36.581 -0.379 -32.266 -99.200 -91.000 TRP 136 1.040 -45.114 12.713 -36.617 -99.200 -91.000 TRP6 136 1.020 -43.118 11.673 -37.262 -99.200 -91.000 PHE 165 1.000 -18.056 -5.659 -26.560 -99.200 -91.000 TRP 186 1.040 -4.243 26.502 -11.406 -99.200 -91.000 TRP6 186 1.020 -4.712 24.471 -12.556 -99.200 -91.000 HIS 195 0.900 -15.447 48.527 -3.055 -99.200 -91.000 HIS 197 0.900 -18.302 41.060 -0.743 -99.200 -91.000 HIS 203 0.900 -8.201 27.623 -11.418 -99.200 -91.000 PHE 207 1.000 -10.494 15.285 -10.773 -99.200 -91.000 TYR 208 0.840 -10.283 7.614 -15.074 -99.200 -91.000 TRP 213 1.040 -14.846 16.344 0.384 -99.200 -91.000 TRP6 213 1.020 -13.444 17.967 1.416 -99.200 -91.000 TRP 216 1.040 -12.214 27.715 -2.031 -99.200 -91.000 TRP6 216 1.020 -10.059 28.728 -1.903 -99.200 -91.000 HIS 227 0.900 -21.468 27.874 -7.554 -99.200 -91.000 PHE 231 1.000 -16.684 15.897 -11.147 -99.200 -91.000 TRP 239 1.040 -13.066 12.848 -15.240 -99.200 -91.000 TRP6 239 1.020 -14.763 13.734 -16.672 -99.200 -91.000 TYR 240 0.840 -10.219 22.798 -14.765 -99.200 -91.000 HIS 261 0.900 -8.494 11.157 -7.449 -99.200 -91.000 TYR 272 0.840 -2.264 25.726 4.223 -99.200 -91.000 TRP 273 1.040 -6.078 34.070 -1.195 -99.200 -91.000 TRP6 273 1.020 -5.671 33.766 -3.511 -99.200 -91.000