============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 27 1.000 39.037 0.357 24.274 -99.200 -91.000 PHE 29 1.000 37.655 1.693 18.167 -99.200 -91.000 TRP 33 1.040 28.125 -2.155 20.910 -99.200 -91.000 TRP6 33 1.020 25.776 -2.133 21.147 -99.200 -91.000 TRP 36 1.040 31.733 11.019 19.435 -99.200 -91.000 TRP6 36 1.020 33.732 12.195 19.903 -99.200 -91.000 TRP 47 1.040 24.156 8.686 24.008 -99.200 -91.000 TRP6 47 1.020 22.409 8.535 22.433 -99.200 -91.000 HIS 58 0.900 30.953 -1.311 11.509 -99.200 -91.000 TYR 62 0.840 23.551 9.735 14.466 -99.200 -91.000 PHE 70 1.000 26.281 17.287 16.271 -99.200 -91.000 TYR 82 0.840 37.518 9.291 12.162 -99.200 -91.000 TYR 96 0.840 30.360 18.268 21.441 -99.200 -91.000 TYR 97 0.840 33.805 15.154 28.865 -99.200 -91.000 PHE 108 1.000 28.223 5.750 27.858 -99.200 -91.000 TYR 110 0.840 38.275 1.142 29.429 -99.200 -91.000 TRP 111 1.040 33.647 8.204 30.753 -99.200 -91.000 TRP6 111 1.020 31.896 9.710 30.265 -99.200 -91.000 TYR 130 0.840 48.496 43.644 31.186 -99.200 -91.000 TYR 152 0.840 41.726 33.956 27.539 -99.200 -91.000 PHE 153 1.000 35.641 34.120 21.846 -99.200 -91.000 TRP 161 1.040 51.614 30.526 39.027 -99.200 -91.000 TRP6 161 1.020 52.215 32.811 39.150 -99.200 -91.000 HIS 171 0.900 43.876 28.680 45.661 -99.200 -91.000 PHE 173 1.000 40.948 32.589 41.948 -99.200 -91.000 TYR 182 0.840 36.270 33.475 27.459 -99.200 -91.000 TRP 195 1.040 58.620 37.384 44.311 -99.200 -91.000 TRP6 195 1.020 57.807 39.404 45.226 -99.200 -91.000 HIS 206 0.900 44.313 32.036 23.136 -99.200 -91.000