============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 14 1.040 -4.183 -5.051 34.108 -99.200 -91.000 TRP6 14 1.020 -5.354 -6.707 35.314 -99.200 -91.000 PHE 26 1.000 2.086 8.280 22.113 -99.200 -91.000 PHE 35 1.000 -16.193 9.323 32.992 -99.200 -91.000 TYR 36 0.840 -10.043 10.399 36.324 -99.200 -91.000 HIS 42 0.900 8.468 8.505 29.178 -99.200 -91.000 TYR 45 0.840 6.680 16.907 27.948 -99.200 -91.000 PHE 50 1.000 -2.210 11.437 24.496 -99.200 -91.000 HIS 68 0.900 -13.177 5.112 25.656 -99.200 -91.000 HIS 76 0.900 4.052 14.843 40.523 -99.200 -91.000 PHE 79 1.000 8.610 14.021 32.806 -99.200 -91.000 TYR 84 0.840 12.764 10.191 30.980 -99.200 -91.000 PHE 86 1.000 8.444 14.269 42.059 -99.200 -91.000 PHE 99 1.000 -14.282 -0.628 33.761 -99.200 -91.000 TRP 113 1.040 -1.610 -5.347 52.004 -99.200 -91.000 TRP6 113 1.020 -1.990 -5.705 49.697 -99.200 -91.000 PHE 129 1.000 -1.142 -3.461 22.342 -99.200 -91.000 HIS 133 0.900 16.842 -5.920 19.142 -99.200 -91.000 TYR 149 0.840 8.417 -5.737 42.764 -99.200 -91.000 PHE 161 1.000 21.175 8.337 31.780 -99.200 -91.000 PHE 168 1.000 8.946 -0.620 40.642 -99.200 -91.000 TYR 172 0.840 14.470 -11.850 34.228 -99.200 -91.000 HIS 188 0.900 5.985 -3.773 38.212 -99.200 -91.000 PHE 192 1.000 -1.717 -10.758 49.016 -99.200 -91.000 TYR 196 0.840 -3.016 -10.290 37.976 -99.200 -91.000 PHE 197 1.000 -4.160 -5.571 45.008 -99.200 -91.000 TRP 204 1.040 14.225 6.016 33.708 -99.200 -91.000 TRP6 204 1.020 16.511 5.453 33.972 -99.200 -91.000 TYR 214 0.840 19.128 -4.946 36.984 -99.200 -91.000 TYR 217 0.840 9.154 -1.461 35.338 -99.200 -91.000 PHE 223 1.000 4.817 9.887 42.152 -99.200 -91.000 TRP 226 1.040 0.056 13.885 41.536 -99.200 -91.000 TRP6 226 1.020 -0.345 12.820 39.494 -99.200 -91.000