============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. HIS 14 0.900 -27.560 77.466 85.043 -99.200 -91.000 TYR 36 0.840 -19.554 67.196 90.343 -99.200 -91.000 TYR 40 0.840 -34.949 65.752 81.552 -99.200 -91.000 PHE 44 1.000 -39.353 69.216 73.440 -99.200 -91.000 HIS 53 0.900 -25.914 62.578 76.525 -99.200 -91.000 PHE 55 1.000 -22.958 69.383 76.067 -99.200 -91.000 PHE 64 1.000 -8.932 72.279 72.293 -99.200 -91.000 HIS 70 0.900 0.716 80.796 70.960 -99.200 -91.000 TRP 87 1.040 1.871 81.650 56.247 -99.200 -91.000 TRP6 87 1.020 2.901 82.906 57.978 -99.200 -91.000 PHE 88 1.000 -3.235 84.308 55.519 -99.200 -91.000 HIS 105 0.900 -10.102 87.610 69.980 -99.200 -91.000 PHE 112 1.000 -16.509 84.113 60.375 -99.200 -91.000 TRP 124 1.040 -20.339 79.024 55.063 -99.200 -91.000 TRP6 124 1.020 -20.207 81.220 54.195 -99.200 -91.000 PHE 132 1.000 -20.728 86.164 54.413 -99.200 -91.000 PHE 134 1.000 -10.654 91.636 54.461 -99.200 -91.000 HIS 136 0.900 -22.108 90.546 53.273 -99.200 -91.000 TRP 143 1.040 -0.717 96.392 66.539 -99.200 -91.000 TRP6 143 1.020 -0.614 94.719 68.228 -99.200 -91.000 HIS 144 0.900 -9.677 98.023 66.547 -99.200 -91.000 TYR 148 0.840 -14.447 86.668 70.204 -99.200 -91.000 TYR 153 0.840 -8.154 82.772 67.556 -99.200 -91.000 HIS 162 0.900 1.857 77.786 52.946 -99.200 -91.000 TYR 168 0.840 -9.036 74.118 60.921 -99.200 -91.000 HIS 171 0.900 -0.192 71.660 64.241 -99.200 -91.000 PHE 177 1.000 -8.360 67.386 68.828 -99.200 -91.000 TRP 186 1.040 -14.739 63.267 66.163 -99.200 -91.000 TRP6 186 1.020 -15.796 62.501 68.140 -99.200 -91.000 HIS 190 0.900 -10.794 71.042 57.282 -99.200 -91.000 PHE 193 1.000 -20.503 66.162 65.296 -99.200 -91.000 TYR 202 0.840 -33.436 71.072 73.511 -99.200 -91.000 HIS 204 0.900 -34.141 77.826 76.873 -99.200 -91.000 TRP 215 1.040 -37.951 77.517 67.405 -99.200 -91.000 TRP6 215 1.020 -37.593 79.701 68.229 -99.200 -91.000 TRP 220 1.040 -31.968 75.727 64.123 -99.200 -91.000 TRP6 220 1.020 -32.797 77.535 65.409 -99.200 -91.000 PHE 221 1.000 -22.748 78.928 62.431 -99.200 -91.000 PHE 242 1.000 -6.315 72.552 75.158 -99.200 -91.000 PHE 247 1.000 -4.122 77.294 81.724 -99.200 -91.000 TRP 258 1.040 4.732 85.839 79.644 -99.200 -91.000 TRP6 258 1.020 5.063 87.369 77.877 -99.200 -91.000 PHE 268 1.000 -18.384 93.879 75.448 -99.200 -91.000 PHE 269 1.000 -17.939 86.572 73.131 -99.200 -91.000 HIS 279 0.900 -0.745 87.425 72.281 -99.200 -91.000 TYR 286 0.840 -16.677 83.142 85.870 -99.200 -91.000 HIS 294 0.900 -12.313 81.871 73.769 -99.200 -91.000 HIS 301 0.900 -24.838 71.625 72.210 -99.200 -91.000 PHE 326 1.000 -23.739 88.533 71.992 -99.200 -91.000 PHE 329 1.000 -30.948 81.847 83.684 -99.200 -91.000 TYR 330 0.840 -33.600 80.334 79.457 -99.200 -91.000