============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TRP 11 1.040 22.956 18.108 74.909 -99.200 -91.000 TRP6 11 1.020 23.427 15.812 75.199 -99.200 -91.000 PHE 26 1.000 21.933 12.668 84.334 -99.200 -91.000 HIS 33 0.900 25.266 14.145 98.210 -99.200 -91.000 PHE 43 1.000 13.662 28.175 73.980 -99.200 -91.000 HIS 45 0.900 18.822 19.424 72.747 -99.200 -91.000 HIS 55 0.900 17.189 12.787 91.731 -99.200 -91.000 PHE 58 1.000 19.662 15.549 88.225 -99.200 -91.000 PHE 77 1.000 10.076 27.933 77.106 -99.200 -91.000 TRP 81 1.040 18.395 26.823 89.387 -99.200 -91.000 TRP6 81 1.020 20.454 26.761 90.568 -99.200 -91.000 HIS 86 0.900 31.629 27.919 79.402 -99.200 -91.000 TRP 91 1.040 38.084 32.800 76.037 -99.200 -91.000 TRP6 91 1.020 39.380 30.892 75.496 -99.200 -91.000 TYR 92 0.840 35.689 31.289 71.119 -99.200 -91.000 TYR 93 0.840 28.905 33.206 70.632 -99.200 -91.000 PHE 112 1.000 16.405 33.467 84.461 -99.200 -91.000 TRP 150 1.040 26.464 39.133 96.569 -99.200 -91.000 TRP6 150 1.020 28.260 38.193 95.347 -99.200 -91.000 TYR 157 0.840 39.407 29.345 88.960 -99.200 -91.000 TRP 161 1.040 44.087 28.113 84.839 -99.200 -91.000 TRP6 161 1.020 45.098 26.084 85.523 -99.200 -91.000 HIS 178 0.900 36.801 26.620 93.832 -99.200 -91.000 TRP 184 1.040 37.056 41.113 95.748 -99.200 -91.000 TRP6 184 1.020 34.738 41.355 95.308 -99.200 -91.000 TYR 201 0.840 38.129 22.417 88.756 -99.200 -91.000 TYR 214 0.840 32.061 18.720 98.100 -99.200 -91.000 PHE 222 1.000 33.435 18.813 91.704 -99.200 -91.000 PHE 230 1.000 25.885 16.161 86.599 -99.200 -91.000