============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 21 0.840 41.291 141.553 145.522 -99.200 -91.000 TYR 24 0.840 34.635 143.828 143.315 -99.200 -91.000 TYR 26 0.840 38.640 133.292 143.019 -99.200 -91.000 TYR 32 0.840 40.082 137.124 130.116 -99.200 -91.000 PHE 33 1.000 37.781 132.639 132.593 -99.200 -91.000 PHE 38 1.000 36.595 130.682 125.688 -99.200 -91.000 PHE 41 1.000 37.008 127.772 130.258 -99.200 -91.000 HIS 43 0.900 27.765 127.738 136.318 -99.200 -91.000 TRP 44 1.040 35.108 126.111 138.064 -99.200 -91.000 TRP6 44 1.020 36.817 127.245 139.268 -99.200 -91.000 HIS 55 0.900 36.166 129.563 151.498 -99.200 -91.000 PHE 59 1.000 38.601 133.394 158.049 -99.200 -91.000 TYR 60 0.840 29.384 138.846 160.190 -99.200 -91.000 TYR 62 0.840 36.814 131.643 166.018 -99.200 -91.000 TYR 64 0.840 30.134 140.240 164.989 -99.200 -91.000 TRP 82 1.040 43.837 137.423 134.503 -99.200 -91.000 TRP6 82 1.020 41.861 138.420 135.348 -99.200 -91.000 PHE 89 1.000 40.248 128.521 134.848 -99.200 -91.000 HIS 95 0.900 43.478 135.985 145.698 -99.200 -91.000 PHE 98 1.000 47.872 137.217 149.504 -99.200 -91.000 TYR 104 0.840 49.922 126.985 155.500 -99.200 -91.000 HIS 116 0.900 46.051 125.567 172.962 -99.200 -91.000 PHE 121 1.000 37.239 129.753 162.438 -99.200 -91.000 TRP 124 1.040 35.754 123.688 156.953 -99.200 -91.000 TRP6 124 1.020 35.664 125.377 155.303 -99.200 -91.000 PHE 125 1.000 38.147 129.136 157.165 -99.200 -91.000 PHE 154 1.000 34.543 126.421 121.307 -99.200 -91.000 TYR 159 0.840 34.680 118.845 134.081 -99.200 -91.000