============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. TYR 3 0.840 76.564 69.602 -4.609 -99.200 -91.000 PHE 41 1.000 75.290 53.718 0.509 -99.200 -91.000 HIS 45 0.900 61.348 43.001 5.246 -99.200 -91.000 TRP 51 1.040 77.692 28.386 1.392 -99.200 -91.000 TRP6 51 1.020 76.278 30.151 0.779 -99.200 -91.000 HIS 61 0.900 67.180 46.045 9.057 -99.200 -91.000 TRP 83 1.040 66.956 44.148 -9.204 -99.200 -91.000 TRP6 83 1.020 66.869 45.108 -7.044 -99.200 -91.000 HIS 90 0.900 54.182 37.454 2.100 -99.200 -91.000 PHE 107 1.000 82.877 33.232 3.832 -99.200 -91.000 HIS 139 0.900 87.823 42.546 8.376 -99.200 -91.000