============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. HIS 12 0.900 14.675 21.905 28.066 -99.200 -91.000 TRP 23 1.040 18.012 26.689 11.025 -99.200 -91.000 TRP6 23 1.020 19.556 28.310 10.377 -99.200 -91.000 PHE 32 1.000 24.106 27.055 5.603 -99.200 -91.000 PHE 40 1.000 22.400 28.953 14.535 -99.200 -91.000 HIS 62 0.900 22.863 24.417 1.176 -99.200 -91.000 TRP 80 1.040 36.237 24.294 26.967 -99.200 -91.000 TRP6 80 1.020 35.321 26.354 27.644 -99.200 -91.000 HIS 84 0.900 38.565 26.464 29.285 -99.200 -91.000 TRP 117 1.040 27.992 21.961 33.107 -99.200 -91.000 TRP6 117 1.020 28.034 20.305 31.447 -99.200 -91.000 HIS 120 0.900 26.843 26.083 39.789 -99.200 -91.000 TYR 130 0.840 27.481 23.433 19.782 -99.200 -91.000 TRP 133 1.040 33.120 27.133 20.695 -99.200 -91.000 TRP6 133 1.020 33.188 25.057 21.774 -99.200 -91.000 TYR 145 0.840 26.506 28.167 0.454 -99.200 -91.000