============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 4 0.840 34.499-224.784 39.118 -99.200 -91.000 PHE 11 1.000 32.548-216.732 45.628 -99.200 -91.000 PHE 18 1.000 40.677-224.530 44.543 -99.200 -91.000 TYR 22 0.840 46.276-222.515 42.815 -99.200 -91.000 PHE 44 1.000 56.206-203.590 63.042 -99.200 -91.000 HIS 69 0.900 51.262-192.980 62.341 -99.200 -91.000 TYR 74 0.840 56.820-206.078 52.089 -99.200 -91.000 HIS 83 0.900 50.686-202.224 43.791 -99.200 -91.000 PHE 95 1.000 42.628-190.695 58.723 -99.200 -91.000 TYR 99 0.840 39.148-187.532 57.783 -99.200 -91.000 PHE 108 1.000 48.682-198.321 56.957 -99.200 -91.000 TYR 115 0.840 45.617-201.295 46.832 -99.200 -91.000 HIS 119 0.900 44.618-205.259 44.017 -99.200 -91.000 TYR 122 0.840 37.077-205.780 40.200 -99.200 -91.000 PHE 128 1.000 48.324-206.188 46.452 -99.200 -91.000 PHE 134 1.000 48.892-203.474 58.918 -99.200 -91.000 HIS 143 0.900 46.010-199.627 68.116 -99.200 -91.000 TYR 145 0.840 45.335-203.920 63.227 -99.200 -91.000 TYR 153 0.840 41.998-205.769 58.616 -99.200 -91.000 TRP 154 1.040 41.228-212.043 61.873 -99.200 -91.000 TRP6 154 1.020 38.949-211.428 62.018 -99.200 -91.000 TYR 156 0.840 47.275-211.878 63.975 -99.200 -91.000 HIS 178 0.900 56.563-219.407 79.489 -99.200 -91.000 TYR 196 0.840 70.273-214.996 65.294 -99.200 -91.000 HIS 199 0.900 68.612-218.913 58.991 -99.200 -91.000 PHE 207 1.000 69.532-215.257 60.491 -99.200 -91.000 TRP 213 1.040 62.746-199.563 68.635 -99.200 -91.000 TRP6 213 1.020 63.269-199.810 70.930 -99.200 -91.000 HIS 223 0.900 59.485-198.140 61.528 -99.200 -91.000 PHE 225 1.000 64.342-199.484 59.463 -99.200 -91.000 PHE 237 1.000 67.472-212.904 75.020 -99.200 -91.000