============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 3 0.840 14.390 33.157 7.157 -99.200 -91.000 HIS 9 0.900 -3.370 35.328 13.748 -99.200 -91.000 PHE 25 1.000 -17.121 47.302 16.169 -99.200 -91.000 TYR 26 0.840 -14.112 43.357 16.071 -99.200 -91.000 TRP 47 1.040 -9.932 32.717 15.735 -99.200 -91.000 TRP6 47 1.020 -8.508 31.159 14.633 -99.200 -91.000 PHE 48 1.000 -15.854 38.248 14.195 -99.200 -91.000 HIS 56 0.900 -6.957 34.479 14.852 -99.200 -91.000 PHE 63 1.000 -10.654 44.127 27.307 -99.200 -91.000 HIS 70 0.900 -4.147 52.107 15.657 -99.200 -91.000 PHE 73 1.000 -9.172 45.612 10.656 -99.200 -91.000 TYR 74 0.840 -6.905 50.401 1.077 -99.200 -91.000 PHE 81 1.000 -16.545 50.478 7.086 -99.200 -91.000 HIS 96 0.900 -9.620 65.460 8.421 -99.200 -91.000 PHE 104 1.000 -14.096 55.472 9.665 -99.200 -91.000 TYR 105 0.840 -7.455 56.679 14.446 -99.200 -91.000 PHE 110 1.000 -15.616 43.101 23.211 -99.200 -91.000 PHE 116 1.000 -12.869 50.311 10.323 -99.200 -91.000