============================================================================= 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. PHE 1 1.000 128.720 55.135 -19.570 -99.200 -91.000 TYR 8 0.840 127.974 48.579 -36.732 -99.200 -91.000 TYR 10 0.840 135.410 55.108 -37.514 -99.200 -91.000 PHE 21 1.000 144.230 38.168 -26.976 -99.200 -91.000 PHE 41 1.000 122.079 24.565 8.073 -99.200 -91.000 TRP 73 1.040 134.270 22.096 4.610 -99.200 -91.000 TRP6 73 1.020 133.024 21.975 6.615 -99.200 -91.000 PHE 84 1.000 123.754 30.175 10.349 -99.200 -91.000 TYR 100 0.840 121.569 33.709 28.668 -99.200 -91.000 PHE 117 1.000 140.441 22.244 11.436 -99.200 -91.000 PHE 131 1.000 119.872 29.354 20.722 -99.200 -91.000 HIS 134 0.900 108.866 33.221 20.297 -99.200 -91.000 TYR 145 0.840 106.562 44.614 18.255 -99.200 -91.000 HIS 162 0.900 127.545 33.335 19.931 -99.200 -91.000 HIS 192 0.900 135.291 39.421 24.869 -99.200 -91.000 TYR 200 0.840 123.117 37.610 9.131 -99.200 -91.000 TYR 204 0.840 115.468 43.599 1.568 -99.200 -91.000 TYR 208 0.840 113.793 33.697 -3.146 -99.200 -91.000 TYR 209 0.840 115.261 34.653 4.945 -99.200 -91.000 PHE 212 1.000 118.919 29.152 8.758 -99.200 -91.000 TYR 230 0.840 111.595 39.882 13.546 -99.200 -91.000 HIS 242 0.900 117.502 56.450 5.361 -99.200 -91.000 TYR 262 0.840 115.879 40.754 -1.604 -99.200 -91.000 PHE 273 1.000 125.887 53.482 3.448 -99.200 -91.000 PHE 278 1.000 131.962 40.240 4.180 -99.200 -91.000 TYR 280 0.840 123.458 33.129 4.760 -99.200 -91.000 TYR 286 0.840 122.775 23.951 -1.668 -99.200 -91.000 HIS 289 0.900 121.066 28.900 -8.352 -99.200 -91.000 TRP 297 1.040 114.769 20.218 -15.341 -99.200 -91.000 TRP6 297 1.020 113.167 20.917 -13.751 -99.200 -91.000 PHE 310 1.000 125.453 36.203 -4.529 -99.200 -91.000 TYR 321 0.840 123.332 27.361 3.190 -99.200 -91.000 PHE 322 1.000 125.260 25.738 -4.988 -99.200 -91.000