============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 36 1.000 17.964 78.365 3.221 -99.200 -91.000 PHE 48 1.000 14.825 88.536 4.706 -99.200 -91.000 TRP 49 1.040 14.712 79.175 9.469 -99.200 -91.000 TRP6 49 1.020 15.888 77.537 8.214 -99.200 -91.000 TYR 50 0.840 22.727 82.721 7.912 -99.200 -91.000 HIS 57 0.900 33.497 71.725 9.711 -99.200 -91.000 HIS 61 0.900 24.380 75.931 16.366 -99.200 -91.000 TYR 62 0.840 17.360 74.297 12.575 -99.200 -91.000 HIS 75 0.900 28.349 79.007 16.399 -99.200 -91.000 HIS 98 0.900 9.786 70.824 1.150 -99.200 -91.000 PHE 110 1.000 18.300 72.064 1.006 -99.200 -91.000 TYR 114 0.840 14.880 66.815 12.719 -99.200 -91.000 PHE 122 1.000 16.952 73.309 4.860 -99.200 -91.000 HIS 128 0.900 24.571 80.158 -8.776 -99.200 -91.000 TYR 130 0.840 19.193 71.614 -4.975 -99.200 -91.000 TRP 133 1.040 22.465 75.182 2.556 -99.200 -91.000 TRP6 133 1.020 22.929 74.568 4.808 -99.200 -91.000