============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. HIS 1 0.900 1.570 36.384 48.007 -99.200 -91.000 HIS 2 0.900 6.401 38.346 42.607 -99.200 -91.000 HIS 3 0.900 2.050 35.272 37.820 -99.200 -91.000 HIS 4 0.900 9.127 34.907 42.697 -99.200 -91.000 PHE 8 1.000 17.768 30.392 29.905 -99.200 -91.000 HIS 9 0.900 17.337 38.731 30.498 -99.200 -91.000 HIS 26 0.900 17.938 14.362 20.171 -99.200 -91.000 HIS 31 0.900 28.832 11.072 28.429 -99.200 -91.000 PHE 82 1.000 32.983 36.454 19.555 -99.200 -91.000 TYR 104 0.840 31.953 -0.460 22.630 -99.200 -91.000 TYR 111 0.840 38.773 15.667 24.156 -99.200 -91.000 PHE 130 1.000 26.025 39.129 20.821 -99.200 -91.000 TYR 148 0.840 17.533 69.278 25.726 -99.200 -91.000 TYR 164 0.840 13.876 71.605 26.577 -99.200 -91.000 HIS 188 0.900 7.847 38.864 34.979 -99.200 -91.000 HIS 191 0.900 10.010 42.562 34.982 -99.200 -91.000 PHE 216 1.000 9.295 80.731 32.916 -99.200 -91.000 PHE 236 1.000 2.525 68.033 39.539 -99.200 -91.000 TRP 257 1.040 17.964 33.439 37.500 -99.200 -91.000 TRP6 257 1.020 18.299 32.160 39.455 -99.200 -91.000 TRP 262 1.040 9.996 31.198 43.061 -99.200 -91.000 TRP6 262 1.020 7.727 30.691 43.484 -99.200 -91.000