============================================================================= 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. PHE 4 1.000 37.580 2.833 17.049 -99.200 -91.000 TYR 18 0.840 43.510 20.102 15.276 -99.200 -91.000 TYR 24 0.840 33.786 25.616 11.344 -99.200 -91.000 TYR 25 0.840 39.330 28.273 17.925 -99.200 -91.000 HIS 31 0.900 35.313 16.163 20.529 -99.200 -91.000 PHE 67 1.000 39.443 7.991 16.496 -99.200 -91.000 TYR 88 0.840 26.765 0.967 8.711 -99.200 -91.000 HIS 96 0.900 28.807 -2.032 7.193 -99.200 -91.000 PHE 104 1.000 35.518 11.344 13.465 -99.200 -91.000 PHE 114 1.000 28.116 13.879 -0.459 -99.200 -91.000 TRP 126 1.040 30.692 -1.757 -5.807 -99.200 -91.000 TRP6 126 1.020 29.495 -1.096 -3.905 -99.200 -91.000 TRP 138 1.040 34.198 14.660 1.413 -99.200 -91.000 TRP6 138 1.020 33.975 12.619 0.276 -99.200 -91.000 TYR 139 0.840 37.553 14.768 -5.915 -99.200 -91.000 PHE 153 1.000 31.599 5.036 0.324 -99.200 -91.000 TRP 158 1.040 40.522 -2.076 5.109 -99.200 -91.000 TRP6 158 1.020 39.594 -0.054 5.881 -99.200 -91.000 TYR 161 0.840 42.106 5.200 4.328 -99.200 -91.000