============================================================================= 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 2 1.000 120.509 56.613 2.506 -99.200 -91.000 TYR 9 0.840 117.599 50.974 19.743 -99.200 -91.000 TYR 11 0.840 116.328 59.694 20.348 -99.200 -91.000 PHE 22 1.000 98.184 51.460 10.234 -99.200 -91.000 PHE 42 1.000 108.856 27.757 -24.831 -99.200 -91.000 TRP 74 1.040 97.258 32.752 -21.470 -99.200 -91.000 TRP6 74 1.020 98.240 31.961 -23.479 -99.200 -91.000 PHE 85 1.000 110.523 33.421 -27.109 -99.200 -91.000 TYR 101 0.840 114.309 35.107 -45.521 -99.200 -91.000 PHE 118 1.000 92.072 36.341 -28.297 -99.200 -91.000 PHE 132 1.000 113.213 30.575 -37.509 -99.200 -91.000 HIS 135 0.900 124.367 26.590 -37.529 -99.200 -91.000 TYR 146 0.840 132.796 35.458 -35.129 -99.200 -91.000 HIS 163 0.900 109.177 38.141 -36.778 -99.200 -91.000 HIS 193 0.900 106.128 47.600 -41.857 -99.200 -91.000 TYR 201 0.840 115.233 39.062 -25.988 -99.200 -91.000 TYR 204 0.840 124.896 39.725 -18.361 -99.200 -91.000 TYR 208 0.840 120.772 30.570 -13.838 -99.200 -91.000 TYR 209 0.840 120.013 32.277 -21.872 -99.200 -91.000 PHE 212 1.000 113.933 29.720 -25.613 -99.200 -91.000 TYR 226 0.840 126.034 34.330 -30.322 -99.200 -91.000 HIS 238 0.900 130.545 51.294 -22.134 -99.200 -91.000 TYR 258 0.840 122.972 37.667 -15.295 -99.200 -91.000 PHE 269 1.000 121.933 53.717 -20.253 -99.200 -91.000 PHE 274 1.000 109.420 46.262 -21.154 -99.200 -91.000 TYR 276 0.840 112.433 35.610 -21.584 -99.200 -91.000 TYR 282 0.840 107.978 27.489 -15.191 -99.200 -91.000 HIS 285 0.900 112.190 30.808 -8.442 -99.200 -91.000 TRP 293 1.040 112.552 19.933 -1.625 -99.200 -91.000 TRP6 293 1.020 114.223 19.571 -3.254 -99.200 -91.000 PHE 306 1.000 112.401 39.257 -12.286 -99.200 -91.000 TYR 317 0.840 109.322 30.755 -20.070 -99.200 -91.000 PHE 318 1.000 107.004 30.724 -11.916 -99.200 -91.000