============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 6 1.000 24.138 -8.052 22.204 -99.200 -91.000 HIS 12 0.900 37.217 -4.648 21.823 -99.200 -91.000 TYR 28 0.840 33.785 -6.737 31.661 -99.200 -91.000 PHE 33 1.000 37.271 0.467 36.021 -99.200 -91.000 TYR 39 0.840 44.296 0.453 39.795 -99.200 -91.000 TYR 62 0.840 33.504 8.437 47.867 -99.200 -91.000 TRP 66 1.040 28.280 2.326 48.195 -99.200 -91.000 TRP6 66 1.020 27.964 0.028 47.663 -99.200 -91.000 TRP 75 1.040 24.395 9.202 42.837 -99.200 -91.000 TRP6 75 1.020 26.578 9.599 42.064 -99.200 -91.000 TYR 89 0.840 39.492 9.417 36.296 -99.200 -91.000 TYR 107 0.840 26.690 -10.286 38.368 -99.200 -91.000 TYR 108 0.840 25.152 -2.867 43.870 -99.200 -91.000 HIS 112 0.900 34.864 5.736 35.358 -99.200 -91.000 HIS 119 0.900 46.589 10.217 32.766 -99.200 -91.000