============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 38 0.840 36.588 35.504 47.276 -99.200 -91.000 TRP 39 1.040 27.860 30.441 51.054 -99.200 -91.000 TRP6 39 1.020 28.270 28.283 50.139 -99.200 -91.000 TYR 40 0.840 26.784 35.460 52.516 -99.200 -91.000 PHE 41 1.000 28.010 39.800 47.564 -99.200 -91.000 HIS 57 0.900 15.255 57.676 41.220 -99.200 -91.000 TRP 69 1.040 4.880 67.758 31.012 -99.200 -91.000 TRP6 69 1.020 7.198 67.795 30.581 -99.200 -91.000 HIS 70 0.900 9.144 71.742 32.896 -99.200 -91.000 TRP 72 1.040 7.082 62.531 38.561 -99.200 -91.000 TRP6 72 1.020 8.187 61.425 36.781 -99.200 -91.000 PHE 73 1.000 12.208 64.615 32.455 -99.200 -91.000 PHE 80 1.000 20.098 58.291 38.047 -99.200 -91.000 HIS 94 0.900 23.762 54.266 38.073 -99.200 -91.000 PHE 111 1.000 2.912 62.157 35.409 -99.200 -91.000 HIS 121 0.900 9.666 63.626 20.541 -99.200 -91.000 PHE 130 1.000 22.746 67.636 33.033 -99.200 -91.000 HIS 144 0.900 24.314 52.709 23.332 -99.200 -91.000 PHE 148 1.000 25.965 62.959 20.908 -99.200 -91.000 HIS 162 0.900 17.476 79.770 27.947 -99.200 -91.000