============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 4 1.000 -12.740 -8.292 -17.737 -99.200 -91.000 TYR 10 0.840 -6.666 -4.802 -13.922 -99.200 -91.000 PHE 28 1.000 -17.511 14.971 -16.664 -99.200 -91.000 TYR 30 0.840 -15.694 22.593 -21.433 -99.200 -91.000 PHE 34 1.000 -12.585 8.931 -28.964 -99.200 -91.000 TYR 36 0.840 -21.867 14.806 -27.188 -99.200 -91.000 TYR 38 0.840 -16.087 5.182 -24.287 -99.200 -91.000 PHE 56 1.000 -21.271 8.423 -13.175 -99.200 -91.000 PHE 59 1.000 -12.885 12.535 -8.454 -99.200 -91.000 HIS 60 0.900 -15.208 19.426 -16.036 -99.200 -91.000 TYR 67 0.840 -15.320 29.814 -21.194 -99.200 -91.000 PHE 75 1.000 -20.288 19.459 -15.644 -99.200 -91.000 PHE 90 1.000 -25.470 7.466 -15.002 -99.200 -91.000 PHE 96 1.000 -23.070 15.406 -13.774 -99.200 -91.000 PHE 101 1.000 -25.514 13.597 -21.953 -99.200 -91.000 TRP 103 1.040 -21.572 24.064 -20.513 -99.200 -91.000 TRP6 103 1.020 -21.566 23.865 -18.158 -99.200 -91.000 TYR 104 0.840 -20.234 15.563 -22.616 -99.200 -91.000 TYR 107 0.840 -15.358 22.139 -26.881 -99.200 -91.000 HIS 108 0.900 -17.093 17.765 -27.578 -99.200 -91.000 TRP 114 1.040 -20.323 29.264 -24.471 -99.200 -91.000 TRP6 114 1.020 -19.539 27.044 -24.734 -99.200 -91.000 PHE 123 1.000 -18.460 26.591 -20.091 -99.200 -91.000 PHE 138 1.000 -22.186 28.595 -10.446 -99.200 -91.000 TRP 154 1.040 -14.574 16.342 -8.739 -99.200 -91.000 TRP6 154 1.020 -16.342 17.537 -9.754 -99.200 -91.000 TYR 158 0.840 -2.272 17.572 -15.386 -99.200 -91.000 TYR 169 0.840 -15.608 5.147 -18.100 -99.200 -91.000 TYR 175 0.840 -7.648 -2.207 -8.436 -99.200 -91.000 TYR 178 0.840 -4.116 0.980 -20.062 -99.200 -91.000