============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 4 1.000 35.255 37.774 -1.599 -99.200 -91.000 TYR 15 0.840 37.086 44.027 16.769 -99.200 -91.000 TYR 19 0.840 32.159 48.442 2.245 -99.200 -91.000 HIS 56 0.900 23.836 26.786 17.552 -99.200 -91.000 HIS 67 0.900 47.391 38.421 7.254 -99.200 -91.000 TYR 73 0.840 39.929 42.477 2.596 -99.200 -91.000 PHE 76 1.000 31.895 37.066 9.884 -99.200 -91.000 PHE 78 1.000 23.399 40.192 2.844 -99.200 -91.000 HIS 80 0.900 18.312 39.315 1.770 -99.200 -91.000 PHE 86 1.000 11.427 42.316 12.808 -99.200 -91.000 TYR 103 0.840 13.550 37.206 15.917 -99.200 -91.000 PHE 105 1.000 14.209 27.593 22.985 -99.200 -91.000 PHE 113 1.000 28.397 25.386 18.906 -99.200 -91.000 HIS 115 0.900 28.048 32.123 26.750 -99.200 -91.000 HIS 117 0.900 32.057 24.150 21.215 -99.200 -91.000 HIS 121 0.900 29.445 39.505 19.982 -99.200 -91.000 PHE 142 1.000 29.424 34.379 20.280 -99.200 -91.000 PHE 148 1.000 42.195 42.233 15.529 -99.200 -91.000 TYR 155 0.840 39.630 54.349 9.965 -99.200 -91.000 HIS 157 0.900 37.204 59.229 11.451 -99.200 -91.000 TRP 163 1.040 23.160 53.272 24.595 -99.200 -91.000 TRP6 163 1.020 21.594 53.715 22.877 -99.200 -91.000 TYR 164 0.840 22.414 47.232 23.608 -99.200 -91.000 TYR 175 0.840 42.214 38.798 34.453 -99.200 -91.000 TYR 176 0.840 35.339 40.939 29.673 -99.200 -91.000 TRP 183 1.040 24.057 43.896 31.612 -99.200 -91.000 TRP6 183 1.020 23.402 44.204 33.862 -99.200 -91.000 PHE 189 1.000 13.019 38.993 27.327 -99.200 -91.000 PHE 199 1.000 19.902 49.231 32.417 -99.200 -91.000 PHE 209 1.000 26.920 57.568 38.829 -99.200 -91.000 PHE 212 1.000 25.844 51.804 39.820 -99.200 -91.000 TRP 223 1.040 29.090 42.053 42.103 -99.200 -91.000 TRP6 223 1.020 29.063 43.547 40.270 -99.200 -91.000 TYR 232 0.840 31.903 50.545 45.046 -99.200 -91.000 PHE 236 1.000 30.477 54.048 41.588 -99.200 -91.000 TRP 239 1.040 20.046 57.091 42.062 -99.200 -91.000 TRP6 239 1.020 22.098 57.564 40.980 -99.200 -91.000 PHE 244 1.000 13.878 43.432 36.569 -99.200 -91.000 HIS 264 0.900 19.768 37.494 39.739 -99.200 -91.000 TYR 265 0.840 23.582 45.823 40.033 -99.200 -91.000 HIS 279 0.900 12.200 31.621 33.318 -99.200 -91.000 PHE 281 1.000 9.345 34.703 28.051 -99.200 -91.000 PHE 282 1.000 13.034 31.064 26.475 -99.200 -91.000 HIS 291 0.900 5.040 42.099 6.578 -99.200 -91.000