============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 6 1.000 2.284 43.934 22.168 -99.200 -91.000 PHE 18 1.000 11.191 38.866 45.303 -99.200 -91.000 TRP 47 1.040 18.181 57.464 35.437 -99.200 -91.000 TRP6 47 1.020 16.520 58.190 33.920 -99.200 -91.000 TYR 78 0.840 10.348 64.121 48.937 -99.200 -91.000 HIS 79 0.900 2.091 65.122 52.845 -99.200 -91.000 TYR 80 0.840 6.684 58.879 48.867 -99.200 -91.000 TYR 81 0.840 0.383 55.544 48.898 -99.200 -91.000 TRP 85 1.040 -6.467 57.961 51.626 -99.200 -91.000 TRP6 85 1.020 -5.806 56.539 49.873 -99.200 -91.000 TYR 89 0.840 -8.360 58.356 42.920 -99.200 -91.000 TYR 101 0.840 -3.766 42.686 55.507 -99.200 -91.000 HIS 115 0.900 5.589 37.832 59.864 -99.200 -91.000 PHE 121 1.000 9.797 49.231 56.146 -99.200 -91.000 PHE 123 1.000 15.258 46.493 49.712 -99.200 -91.000 TYR 124 0.840 6.976 42.683 50.414 -99.200 -91.000 PHE 132 1.000 14.827 52.717 42.122 -99.200 -91.000 HIS 136 0.900 20.536 70.153 46.465 -99.200 -91.000 TRP 141 1.040 9.449 63.417 42.676 -99.200 -91.000 TRP6 141 1.020 8.620 62.172 44.503 -99.200 -91.000 PHE 146 1.000 16.650 54.111 36.257 -99.200 -91.000 PHE 155 1.000 18.448 40.290 31.515 -99.200 -91.000 PHE 165 1.000 12.795 49.474 51.465 -99.200 -91.000 TYR 168 0.840 11.140 52.855 59.523 -99.200 -91.000 HIS 169 0.900 13.571 60.893 55.467 -99.200 -91.000 HIS 183 0.900 16.257 65.458 49.827 -99.200 -91.000 TYR 191 0.840 16.284 34.203 39.348 -99.200 -91.000 PHE 200 1.000 -2.806 39.260 45.638 -99.200 -91.000 PHE 210 1.000 -7.531 54.585 32.114 -99.200 -91.000 HIS 212 0.900 -13.840 63.173 26.664 -99.200 -91.000 PHE 213 1.000 -10.510 56.380 23.215 -99.200 -91.000 TYR 217 0.840 -13.285 73.570 16.804 -99.200 -91.000