============================================================================= 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. PHE 5 1.000 -3.877 -2.786 19.398 -99.200 -91.000 TRP 25 1.040 19.138 8.756 35.436 -99.200 -91.000 TRP6 25 1.020 20.645 7.571 34.054 -99.200 -91.000 HIS 30 0.900 5.834 12.944 26.493 -99.200 -91.000 TRP 44 1.040 -2.125 -5.158 27.231 -99.200 -91.000 TRP6 44 1.020 -2.437 -3.198 25.947 -99.200 -91.000 HIS 53 0.900 5.227 -5.481 34.548 -99.200 -91.000 HIS 56 0.900 19.690 -1.773 32.141 -99.200 -91.000 TYR 65 0.840 18.365 1.912 35.350 -99.200 -91.000 HIS 72 0.900 16.902 -4.022 40.238 -99.200 -91.000 PHE 74 1.000 9.794 -3.453 37.265 -99.200 -91.000 PHE 95 1.000 13.209 -7.886 20.812 -99.200 -91.000 TRP 109 1.040 1.474 -13.480 23.179 -99.200 -91.000 TRP6 109 1.020 2.594 -14.393 25.045 -99.200 -91.000 PHE 134 1.000 8.719 -9.793 17.485 -99.200 -91.000 PHE 144 1.000 10.594 9.367 32.192 -99.200 -91.000 PHE 146 1.000 16.107 10.897 31.901 -99.200 -91.000 TRP 151 1.040 30.319 14.217 18.078 -99.200 -91.000 TRP6 151 1.020 30.684 12.897 19.974 -99.200 -91.000 HIS 152 0.900 27.697 18.581 14.677 -99.200 -91.000 HIS 162 0.900 9.090 11.643 23.531 -99.200 -91.000 TYR 172 0.840 14.235 1.518 12.731 -99.200 -91.000