============================================================================= 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 7 1.000 61.714 -5.185 50.651 -99.200 -91.000 PHE 9 1.000 56.960 -2.726 53.111 -99.200 -91.000 HIS 17 0.900 50.213 -13.140 56.783 -99.200 -91.000 TYR 36 0.840 63.023 -7.617 78.658 -99.200 -91.000 TYR 38 0.840 61.507 -15.299 82.582 -99.200 -91.000 TRP 49 1.040 50.410 -10.263 69.584 -99.200 -91.000 TRP6 49 1.020 50.599 -10.070 67.238 -99.200 -91.000 PHE 50 1.000 47.212 -12.359 64.449 -99.200 -91.000 PHE 58 1.000 46.962 -0.838 69.491 -99.200 -91.000 PHE 73 1.000 55.435 -9.917 63.520 -99.200 -91.000 TRP 76 1.040 50.676 1.346 66.614 -99.200 -91.000 TRP6 76 1.020 50.974 2.368 64.516 -99.200 -91.000 PHE 79 1.000 56.144 3.814 76.741 -99.200 -91.000 PHE 82 1.000 48.578 4.429 83.578 -99.200 -91.000 TYR 85 0.840 51.870 7.722 79.500 -99.200 -91.000 TYR 87 0.840 46.813 12.241 70.687 -99.200 -91.000 HIS 91 0.900 59.003 1.185 67.451 -99.200 -91.000 TYR 94 0.840 58.949 -9.248 67.565 -99.200 -91.000 HIS 96 0.900 62.126 -17.377 59.073 -99.200 -91.000 TYR 99 0.840 64.115 -15.156 54.140 -99.200 -91.000 HIS 107 0.900 64.283 -1.598 52.817 -99.200 -91.000 HIS 122 0.900 53.676 14.506 69.340 -99.200 -91.000 HIS 139 0.900 64.615 1.063 67.295 -99.200 -91.000 PHE 144 1.000 62.466 5.244 66.381 -99.200 -91.000 HIS 146 0.900 69.457 5.395 75.248 -99.200 -91.000 PHE 155 1.000 67.711 -13.042 86.526 -99.200 -91.000 PHE 157 1.000 67.940 -16.053 77.182 -99.200 -91.000 TRP 160 1.040 70.391 -8.382 87.966 -99.200 -91.000 TRP6 160 1.020 68.093 -8.511 88.473 -99.200 -91.000 PHE 165 1.000 61.644 2.075 78.160 -99.200 -91.000 TYR 166 0.840 67.907 3.857 71.548 -99.200 -91.000 HIS 175 0.900 44.084 20.690 64.251 -99.200 -91.000