============================================================================= 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. TYR 3 0.840 34.409 -77.095 43.180 -99.200 -91.000 HIS 6 0.900 35.115 -77.625 48.676 -99.200 -91.000 PHE 10 1.000 50.222 -82.460 45.468 -99.200 -91.000 TYR 17 0.840 44.724 -75.297 51.872 -99.200 -91.000 TYR 21 0.840 40.761 -77.223 55.838 -99.200 -91.000 PHE 23 1.000 47.647 -84.084 60.696 -99.200 -91.000 TYR 62 0.840 37.304 -91.171 72.515 -99.200 -91.000 PHE 64 1.000 39.012 -98.194 69.984 -99.200 -91.000 PHE 95 1.000 52.294-110.002 60.021 -99.200 -91.000 TYR 97 0.840 44.631-118.112 57.274 -99.200 -91.000 TYR 99 0.840 52.494-112.379 55.651 -99.200 -91.000 TYR 101 0.840 55.881-112.837 61.978 -99.200 -91.000 TYR 119 0.840 41.709 -93.996 53.723 -99.200 -91.000 TYR 124 0.840 37.070 -94.318 46.464 -99.200 -91.000 PHE 134 1.000 48.241 -98.633 65.552 -99.200 -91.000 TYR 146 0.840 57.180 -98.250 66.050 -99.200 -91.000 TYR 153 0.840 55.680 -88.565 60.401 -99.200 -91.000 TYR 154 0.840 55.527 -96.126 60.320 -99.200 -91.000 TYR 157 0.840 56.356 -90.318 68.214 -99.200 -91.000 HIS 176 0.900 62.006 -88.669 83.070 -99.200 -91.000 PHE 177 1.000 61.965 -90.047 78.436 -99.200 -91.000 HIS 183 0.900 64.655 -97.744 79.898 -99.200 -91.000 TRP 188 1.040 52.025-104.003 85.317 -99.200 -91.000 TRP6 188 1.020 50.033-102.947 86.022 -99.200 -91.000 PHE 194 1.000 57.897 -90.862 84.061 -99.200 -91.000 HIS 198 0.900 57.094 -86.792 84.525 -99.200 -91.000 PHE 207 1.000 44.461 -86.195 85.224 -99.200 -91.000 PHE 222 1.000 46.554-102.540 75.323 -99.200 -91.000 PHE 223 1.000 47.596-105.415 81.803 -99.200 -91.000