============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. HIS 1 0.900 70.118 1.242 22.437 -99.200 -91.000 PHE 15 1.000 48.325 27.353 10.914 -99.200 -91.000 TYR 44 0.840 56.172 22.943 19.279 -99.200 -91.000 TRP 61 1.040 57.112 15.394 12.174 -99.200 -91.000 TRP6 61 1.020 56.214 16.275 14.176 -99.200 -91.000 PHE 78 1.000 31.707 13.504 21.383 -99.200 -91.000 PHE 143 1.000 54.577 11.897 28.956 -99.200 -91.000 PHE 145 1.000 45.453 8.985 33.662 -99.200 -91.000 HIS 152 0.900 59.267 -4.111 26.922 -99.200 -91.000 HIS 168 0.900 61.766 2.474 -4.384 -99.200 -91.000