============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 8 0.840 42.369 14.360 70.602 -99.200 -91.000 TYR 13 0.840 48.227 11.159 69.760 -99.200 -91.000 HIS 40 0.900 42.516 18.650 91.522 -99.200 -91.000 PHE 47 1.000 44.899 31.464 81.416 -99.200 -91.000 PHE 51 1.000 48.895 27.900 87.606 -99.200 -91.000 PHE 55 1.000 41.076 27.692 83.689 -99.200 -91.000 PHE 90 1.000 51.234 25.407 71.514 -99.200 -91.000 HIS 109 0.900 41.914 25.459 67.072 -99.200 -91.000 TRP 114 1.040 30.843 19.260 72.652 -99.200 -91.000 TRP6 114 1.020 29.983 18.151 74.563 -99.200 -91.000 TYR 138 0.840 25.533 19.995 76.299 -99.200 -91.000 TYR 169 0.840 36.707 42.672 70.106 -99.200 -91.000 TYR 171 0.840 33.856 36.237 70.218 -99.200 -91.000 TYR 176 0.840 32.680 33.694 73.912 -99.200 -91.000 PHE 177 1.000 30.043 31.084 76.640 -99.200 -91.000 TYR 182 0.840 23.711 32.002 67.163 -99.200 -91.000 HIS 214 0.900 15.895 36.335 74.695 -99.200 -91.000 PHE 216 1.000 22.435 34.362 76.528 -99.200 -91.000 PHE 219 1.000 33.860 44.635 81.538 -99.200 -91.000 TRP 240 1.040 22.844 49.008 76.932 -99.200 -91.000 TRP6 240 1.020 23.874 47.038 76.137 -99.200 -91.000 HIS 250 0.900 13.648 39.346 77.164 -99.200 -91.000 TYR 252 0.840 19.305 37.098 79.197 -99.200 -91.000 TRP 266 1.040 33.386 24.365 83.804 -99.200 -91.000 TRP6 266 1.020 33.318 26.726 83.672 -99.200 -91.000 PHE 271 1.000 25.138 30.329 76.133 -99.200 -91.000