============================================================================= 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. TRP 28 1.040 17.781 8.719 10.315 -99.200 -91.000 TRP6 28 1.020 18.166 10.966 10.920 -99.200 -91.000 TYR 32 0.840 18.545 7.438 16.312 -99.200 -91.000 PHE 46 1.000 18.964 26.621 12.684 -99.200 -91.000 PHE 47 1.000 20.632 27.060 17.442 -99.200 -91.000 PHE 50 1.000 20.944 30.317 8.301 -99.200 -91.000 TYR 56 0.840 12.509 31.421 17.606 -99.200 -91.000 PHE 57 1.000 16.589 26.347 20.967 -99.200 -91.000 PHE 60 1.000 20.963 27.416 22.508 -99.200 -91.000 HIS 62 0.900 23.764 33.738 27.485 -99.200 -91.000 HIS 78 0.900 15.962 21.720 19.234 -99.200 -91.000 HIS 94 0.900 6.599 1.848 7.080 -99.200 -91.000 HIS 110 0.900 9.401 22.741 17.432 -99.200 -91.000 HIS 114 0.900 8.921 24.776 21.914 -99.200 -91.000 TYR 120 0.840 14.627 31.297 12.145 -99.200 -91.000 PHE 121 1.000 10.206 23.477 12.372 -99.200 -91.000 PHE 136 1.000 25.899 8.507 4.166 -99.200 -91.000 PHE 140 1.000 24.072 12.716 -1.385 -99.200 -91.000 TRP 148 1.040 19.448 11.778 1.810 -99.200 -91.000 TRP6 148 1.020 19.004 11.898 4.140 -99.200 -91.000 TYR 156 0.840 9.193 25.106 4.831 -99.200 -91.000 HIS 158 0.900 3.876 15.653 6.126 -99.200 -91.000 TYR 163 0.840 4.936 26.845 12.559 -99.200 -91.000 TRP 168 1.040 3.246 31.603 11.933 -99.200 -91.000 TRP6 168 1.020 4.417 31.720 13.986 -99.200 -91.000