============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 5 1.000 34.623 2.057 2.661 -99.200 -91.000 HIS 15 0.900 27.285 13.102 12.811 -99.200 -91.000 HIS 61 0.900 23.666 -7.055 21.277 -99.200 -91.000 PHE 68 1.000 28.028 -1.289 32.493 -99.200 -91.000 HIS 83 0.900 44.795 -2.172 19.546 -99.200 -91.000 PHE 85 1.000 38.087 -0.876 18.822 -99.200 -91.000 PHE 88 1.000 25.979 -0.414 16.264 -99.200 -91.000 PHE 93 1.000 19.087 3.818 22.982 -99.200 -91.000 TYR 104 0.840 22.344 8.192 23.225 -99.200 -91.000 PHE 109 1.000 23.319 -1.589 30.872 -99.200 -91.000 TRP 114 1.040 29.421 3.323 27.703 -99.200 -91.000 TRP6 114 1.020 28.773 1.710 26.089 -99.200 -91.000 HIS 121 0.900 14.126 -2.153 15.750 -99.200 -91.000 HIS 140 0.900 30.365 17.630 19.357 -99.200 -91.000 TYR 160 0.840 9.720 -0.590 9.968 -99.200 -91.000 HIS 171 0.900 14.839 13.847 12.312 -99.200 -91.000 PHE 174 1.000 21.835 11.263 17.396 -99.200 -91.000 PHE 178 1.000 19.746 4.626 6.068 -99.200 -91.000 PHE 190 1.000 22.086 9.639 5.426 -99.200 -91.000 HIS 192 0.900 23.696 2.288 2.736 -99.200 -91.000 TYR 210 0.840 24.469 -16.347 10.211 -99.200 -91.000 TYR 244 0.840 33.747 -13.733 8.761 -99.200 -91.000 TRP 249 1.040 40.440 -3.127 1.699 -99.200 -91.000 TRP6 249 1.020 39.639 -1.074 2.568 -99.200 -91.000 TYR 252 0.840 36.029 0.197 -0.354 -99.200 -91.000