============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. HIS 21 0.900 12.909 78.268 4.116 -99.200 -91.000 PHE 37 1.000 3.230 70.573 22.263 -99.200 -91.000 HIS 46 0.900 25.250 64.114 19.662 -99.200 -91.000 PHE 48 1.000 19.088 67.231 14.191 -99.200 -91.000 PHE 68 1.000 10.046 71.006 14.256 -99.200 -91.000 PHE 83 1.000 16.330 74.812 21.744 -99.200 -91.000 HIS 88 0.900 12.405 87.275 23.578 -99.200 -91.000 TYR 112 0.840 -1.814 70.962 21.594 -99.200 -91.000 PHE 118 1.000 19.181 77.349 7.464 -99.200 -91.000 HIS 120 0.900 25.507 78.518 7.069 -99.200 -91.000 TRP 121 1.040 28.385 75.831 8.949 -99.200 -91.000 TRP6 121 1.020 30.637 76.386 9.460 -99.200 -91.000 TYR 132 0.840 17.283 88.772 9.218 -99.200 -91.000 TYR 134 0.840 8.216 89.296 15.824 -99.200 -91.000 HIS 163 0.900 15.033 75.891 -4.166 -99.200 -91.000 PHE 165 1.000 20.316 77.089 -1.720 -99.200 -91.000