============================================================================= 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 11 1.000 69.699 68.493 -58.416 -99.200 -91.000 TRP 15 1.040 84.461 65.033 -61.270 -99.200 -91.000 TRP6 15 1.020 84.327 62.787 -62.012 -99.200 -91.000 PHE 28 1.000 81.671 56.743 -56.079 -99.200 -91.000 PHE 35 1.000 67.650 72.509 -56.222 -99.200 -91.000 HIS 38 0.900 61.441 72.295 -68.518 -99.200 -91.000 PHE 54 1.000 41.938 62.794 -61.391 -99.200 -91.000 TYR 55 0.840 39.054 60.897 -71.835 -99.200 -91.000 PHE 60 1.000 48.803 55.307 -67.880 -99.200 -91.000 TYR 62 0.840 61.110 57.746 -66.699 -99.200 -91.000 TRP 98 1.040 42.000 54.897 -59.129 -99.200 -91.000 TRP6 98 1.020 42.294 56.846 -60.390 -99.200 -91.000 PHE 105 1.000 50.088 59.026 -56.763 -99.200 -91.000 TYR 117 0.840 78.419 44.193 -48.907 -99.200 -91.000 TYR 123 0.840 61.784 59.836 -54.149 -99.200 -91.000 HIS 141 0.900 64.153 65.353 -48.177 -99.200 -91.000 PHE 144 1.000 75.035 63.927 -50.487 -99.200 -91.000 PHE 147 1.000 66.541 63.838 -51.605 -99.200 -91.000 PHE 149 1.000 60.437 65.334 -53.838 -99.200 -91.000 TYR 150 0.840 60.577 70.860 -60.078 -99.200 -91.000 PHE 155 1.000 49.172 66.744 -72.155 -99.200 -91.000 PHE 158 1.000 57.698 70.071 -65.426 -99.200 -91.000 TYR 162 0.840 61.036 69.663 -49.555 -99.200 -91.000 HIS 164 0.900 67.543 68.751 -48.073 -99.200 -91.000 PHE 166 1.000 74.557 68.387 -50.939 -99.200 -91.000 TYR 181 0.840 66.702 67.826 -43.745 -99.200 -91.000 PHE 183 1.000 58.145 67.270 -49.049 -99.200 -91.000