============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TYR 5 0.840 58.772 50.778 68.029 -99.200 -91.000 TYR 15 0.840 57.625 53.932 52.226 -99.200 -91.000 PHE 16 1.000 62.155 44.217 50.615 -99.200 -91.000 TRP 19 1.040 62.244 50.465 47.641 -99.200 -91.000 TRP6 19 1.020 63.087 50.040 49.826 -99.200 -91.000 PHE 27 1.000 65.767 48.506 53.858 -99.200 -91.000 HIS 30 0.900 72.421 50.824 55.602 -99.200 -91.000 HIS 36 0.900 78.623 36.406 66.812 -99.200 -91.000 TYR 37 0.840 75.436 36.894 71.084 -99.200 -91.000 HIS 39 0.900 75.754 40.328 61.824 -99.200 -91.000 HIS 41 0.900 68.811 33.535 67.250 -99.200 -91.000 TYR 45 0.840 63.760 33.037 58.036 -99.200 -91.000