============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 7 0.900 46.909 -11.987 62.498 -99.200 -91.000 HIS 19 0.900 35.609 -1.595 57.449 -99.200 -91.000 HIS 21 0.900 33.749 2.621 61.127 -99.200 -91.000 PHE 34 1.000 41.169 -3.659 56.280 -99.200 -91.000 PHE 57 1.000 44.236 0.228 44.722 -99.200 -91.000 HIS 69 0.900 39.169 1.545 66.182 -99.200 -91.000 TYR 73 0.840 51.326 -3.558 64.511 -99.200 -91.000 HIS 88 0.900 47.532 -2.325 38.197 -99.200 -91.000 PHE 92 1.000 47.349 0.930 52.347 -99.200 -91.000 HIS 93 0.900 49.305 9.824 50.401 -99.200 -91.000 PHE 117 1.000 49.741 0.455 56.579 -99.200 -91.000 PHE 125 1.000 46.920 8.994 57.781 -99.200 -91.000 TYR 127 0.840 43.210 2.552 49.303 -99.200 -91.000 HIS 128 0.900 49.229 7.382 45.443 -99.200 -91.000 TRP 137 1.040 47.349 5.951 32.266 -99.200 -91.000 TRP6 137 1.020 48.116 3.814 31.564 -99.200 -91.000 HIS 138 0.900 49.124 2.059 36.720 -99.200 -91.000 HIS 164 0.900 27.697 11.150 68.094 -99.200 -91.000 TYR 165 0.840 31.980 8.345 62.197 -99.200 -91.000 TYR 169 0.840 26.132 8.341 53.367 -99.200 -91.000 PHE 174 1.000 38.537 8.705 41.835 -99.200 -91.000 TYR 177 0.840 43.683 15.339 34.104 -99.200 -91.000 TYR 186 0.840 35.241 14.394 26.084 -99.200 -91.000 TYR 189 0.840 42.096 6.346 23.658 -99.200 -91.000 TYR 196 0.840 51.563 6.163 29.043 -99.200 -91.000 HIS 210 0.900 34.382 13.964 31.128 -99.200 -91.000 PHE 213 1.000 31.745 15.016 44.462 -99.200 -91.000 HIS 238 0.900 35.367 15.543 48.586 -99.200 -91.000 HIS 248 0.900 28.769 25.256 50.256 -99.200 -91.000 HIS 253 0.900 26.557 26.359 57.916 -99.200 -91.000 TRP 256 1.040 32.728 20.072 66.081 -99.200 -91.000 TRP6 256 1.020 34.131 21.819 66.863 -99.200 -91.000 TRP 258 1.040 39.764 16.596 62.797 -99.200 -91.000 TRP6 258 1.020 37.566 15.885 63.345 -99.200 -91.000 PHE 263 1.000 39.884 11.567 62.004 -99.200 -91.000 TRP 274 1.040 35.189 20.340 53.956 -99.200 -91.000 TRP6 274 1.020 32.902 20.892 54.291 -99.200 -91.000 PHE 275 1.000 42.655 23.814 48.952 -99.200 -91.000 TYR 286 0.840 25.101 20.056 58.557 -99.200 -91.000 PHE 288 1.000 22.442 16.293 56.650 -99.200 -91.000 TYR 294 0.840 20.588 19.588 53.583 -99.200 -91.000 TYR 296 0.840 30.338 16.559 50.082 -99.200 -91.000 HIS 299 0.900 30.578 27.320 46.205 -99.200 -91.000 PHE 305 1.000 25.726 23.322 40.138 -99.200 -91.000 HIS 312 0.900 21.361 15.945 43.552 -99.200 -91.000 TRP 319 1.040 11.146 24.533 57.129 -99.200 -91.000 TRP6 319 1.020 13.027 24.487 55.693 -99.200 -91.000