============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 6 0.900 3.877 49.322 89.279 -99.200 -91.000 PHE 19 1.000 4.181 36.142 80.220 -99.200 -91.000 TRP 36 1.040 30.396 17.382 88.278 -99.200 -91.000 TRP6 36 1.020 31.338 15.955 86.651 -99.200 -91.000 TYR 57 0.840 28.870 18.091 74.525 -99.200 -91.000 PHE 82 1.000 25.405 19.167 86.342 -99.200 -91.000 HIS 93 0.900 39.308 15.775 65.185 -99.200 -91.000 TRP 98 1.040 42.079 13.128 57.973 -99.200 -91.000 TRP6 98 1.020 41.407 15.360 57.611 -99.200 -91.000 PHE 101 1.000 36.304 11.726 71.499 -99.200 -91.000 HIS 102 0.900 29.474 7.490 70.169 -99.200 -91.000 TRP 113 1.040 37.064 5.471 74.025 -99.200 -91.000 TRP6 113 1.020 37.650 7.681 73.442 -99.200 -91.000 PHE 114 1.000 29.609 3.431 73.328 -99.200 -91.000 TYR 129 0.840 24.024 16.352 78.331 -99.200 -91.000