============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 9 1.000 -2.712 -18.421 1.828 -99.200 -91.000 TYR 12 0.840 4.142 -16.993 2.501 -99.200 -91.000 TYR 19 0.840 6.131 -30.569 1.797 -99.200 -91.000 TRP 21 1.040 2.274 -24.214 -8.150 -99.200 -91.000 TRP6 21 1.020 0.115 -24.800 -7.350 -99.200 -91.000 PHE 37 1.000 -7.400 -18.232 10.361 -99.200 -91.000 TYR 41 0.840 -8.679 -16.799 15.264 -99.200 -91.000 PHE 45 1.000 -2.943 -24.643 10.199 -99.200 -91.000 HIS 53 0.900 -8.059 -41.380 7.097 -99.200 -91.000 TYR 60 0.840 -15.734 -30.916 -4.115 -99.200 -91.000 PHE 63 1.000 -12.508 -26.697 -0.997 -99.200 -91.000 PHE 71 1.000 -16.342 -18.397 3.301 -99.200 -91.000 TRP 77 1.040 -12.516 -7.691 3.163 -99.200 -91.000 TRP6 77 1.020 -12.103 -8.589 1.032 -99.200 -91.000 PHE 83 1.000 -11.724 -20.479 0.019 -99.200 -91.000 PHE 84 1.000 -7.268 -17.164 -0.834 -99.200 -91.000 PHE 86 1.000 -10.294 -26.545 4.515 -99.200 -91.000 TRP 109 1.040 -11.486 -29.620 -5.840 -99.200 -91.000 TRP6 109 1.020 -10.581 -31.078 -4.228 -99.200 -91.000 TYR 113 0.840 -17.050 -21.454 -1.535 -99.200 -91.000 HIS 117 0.900 -20.411 -21.451 -4.845 -99.200 -91.000 TRP 121 1.040 -19.190 -10.230 1.518 -99.200 -91.000 TRP6 121 1.020 -16.962 -9.618 1.956 -99.200 -91.000 TRP 128 1.040 -9.387 -10.087 -3.939 -99.200 -91.000 TRP6 128 1.020 -8.871 -11.125 -1.895 -99.200 -91.000 PHE 131 1.000 -7.126 -8.877 2.583 -99.200 -91.000 TYR 135 0.840 -8.936 -6.135 7.405 -99.200 -91.000