============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 1 0.840 6.431 34.056 84.124 -99.200 -91.000 PHE 7 1.000 17.406 22.694 81.585 -99.200 -91.000 PHE 10 1.000 22.796 23.463 78.289 -99.200 -91.000 TYR 17 0.840 30.429 27.732 79.672 -99.200 -91.000 TYR 18 0.840 19.600 27.711 79.922 -99.200 -91.000 TYR 27 0.840 20.838 32.282 76.780 -99.200 -91.000 PHE 58 1.000 32.944 29.065 83.911 -99.200 -91.000 PHE 60 1.000 26.225 36.101 91.325 -99.200 -91.000 HIS 70 0.900 11.398 40.835 76.549 -99.200 -91.000 HIS 72 0.900 7.567 42.934 78.765 -99.200 -91.000 PHE 73 1.000 6.824 39.731 85.450 -99.200 -91.000 HIS 75 0.900 12.310 37.772 79.555 -99.200 -91.000 TYR 90 0.840 20.490 46.379 84.060 -99.200 -91.000 PHE 108 1.000 3.950 48.652 74.613 -99.200 -91.000 HIS 109 0.900 -0.605 46.033 77.298 -99.200 -91.000 TYR 110 0.840 2.205 44.136 80.283 -99.200 -91.000 TYR 117 0.840 4.035 49.069 88.845 -99.200 -91.000 PHE 118 1.000 11.305 45.764 85.986 -99.200 -91.000 HIS 128 0.900 22.855 54.368 71.604 -99.200 -91.000 HIS 143 0.900 21.957 42.237 65.346 -99.200 -91.000 HIS 148 0.900 7.403 40.649 74.337 -99.200 -91.000 TRP 155 1.040 21.622 40.899 74.011 -99.200 -91.000 TRP6 155 1.020 23.280 42.578 73.863 -99.200 -91.000 HIS 162 0.900 32.063 19.610 68.783 -99.200 -91.000 TYR 166 0.840 28.473 25.607 64.275 -99.200 -91.000 TYR 180 0.840 2.225 43.827 74.063 -99.200 -91.000 TYR 188 0.840 5.863 50.459 70.780 -99.200 -91.000 TYR 195 0.840 5.179 43.072 67.872 -99.200 -91.000 HIS 197 0.900 13.715 47.373 61.441 -99.200 -91.000 PHE 210 1.000 15.241 28.703 67.645 -99.200 -91.000 HIS 214 0.900 9.881 33.521 78.369 -99.200 -91.000 PHE 218 1.000 16.510 27.959 73.891 -99.200 -91.000 TYR 224 0.840 20.750 19.112 79.977 -99.200 -91.000 PHE 235 1.000 20.979 23.307 73.380 -99.200 -91.000 TYR 244 0.840 10.342 31.258 67.970 -99.200 -91.000 PHE 252 1.000 2.752 42.233 63.500 -99.200 -91.000 TYR 253 0.840 2.238 40.810 58.612 -99.200 -91.000