============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. HIS 5 0.900 44.776 -4.764 1.802 -99.200 -91.000 PHE 18 1.000 31.076 2.391 3.909 -99.200 -91.000 PHE 59 1.000 10.931 2.758 34.013 -99.200 -91.000 PHE 60 1.000 15.831 -3.944 37.026 -99.200 -91.000 TRP 70 1.040 5.025 16.452 44.053 -99.200 -91.000 TRP6 70 1.020 5.196 15.465 46.192 -99.200 -91.000 TRP 76 1.040 18.112 16.013 38.880 -99.200 -91.000 TRP6 76 1.020 18.143 18.213 38.071 -99.200 -91.000 PHE 81 1.000 23.861 6.590 29.687 -99.200 -91.000 HIS 92 0.900 2.776 -4.336 35.115 -99.200 -91.000 PHE 93 1.000 3.049 1.267 39.831 -99.200 -91.000 PHE 100 1.000 6.405 3.227 36.438 -99.200 -91.000 HIS 101 0.900 4.031 9.507 31.536 -99.200 -91.000 TRP 112 1.040 4.889 9.204 40.044 -99.200 -91.000 TRP6 112 1.020 5.803 7.082 39.613 -99.200 -91.000 TRP 113 1.040 4.336 13.592 34.273 -99.200 -91.000 TRP6 113 1.020 2.643 15.065 35.025 -99.200 -91.000 TYR 130 0.840 16.080 8.069 26.513 -99.200 -91.000 PHE 131 1.000 15.484 6.581 17.745 -99.200 -91.000