============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 19 0.900 0.627 158.901 -17.337 -99.200 -91.000 HIS 23 0.900 1.779 162.606 -13.140 -99.200 -91.000 HIS 26 0.900 -1.104 162.385 -8.158 -99.200 -91.000 TRP 27 1.040 1.761 166.387 -10.377 -99.200 -91.000 TRP6 27 1.020 2.773 166.509 -12.509 -99.200 -91.000 TYR 28 0.840 -1.576 172.484 -12.035 -99.200 -91.000 PHE 34 1.000 -4.522 166.577 -2.465 -99.200 -91.000 TRP 37 1.040 -12.206 161.661 -5.300 -99.200 -91.000 TRP6 37 1.020 -12.714 159.912 -6.812 -99.200 -91.000 HIS 38 0.900 -2.013 163.629 -4.744 -99.200 -91.000 TYR 44 0.840 -9.507 156.458 -11.570 -99.200 -91.000 TYR 51 0.840 -6.628 149.399 -19.695 -99.200 -91.000 PHE 67 1.000 0.796 157.530 -33.951 -99.200 -91.000 PHE 73 1.000 3.211 159.146 -27.325 -99.200 -91.000 TYR 86 0.840 -1.917 174.768 -8.283 -99.200 -91.000 PHE 101 1.000 -11.057 157.241 -16.510 -99.200 -91.000 TYR 103 0.840 -11.294 159.896 -27.428 -99.200 -91.000 PHE 108 1.000 -9.758 151.748 -24.370 -99.200 -91.000 PHE 112 1.000 -15.866 143.683 -29.050 -99.200 -91.000 PHE 127 1.000 -8.610 148.248 -29.027 -99.200 -91.000 HIS 137 0.900 -11.693 152.409 -12.849 -99.200 -91.000 TRP 139 1.040 -21.426 152.433 -10.498 -99.200 -91.000 TRP6 139 1.020 -20.262 150.661 -9.474 -99.200 -91.000