============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 5 1.000 32.371 19.628 182.446 -99.200 -91.000 TRP 13 1.040 42.551 21.915 176.604 -99.200 -91.000 TRP6 13 1.020 42.769 20.470 178.459 -99.200 -91.000 PHE 27 1.000 34.324 24.750 176.814 -99.200 -91.000 PHE 33 1.000 34.696 23.000 168.096 -99.200 -91.000 HIS 40 0.900 45.131 5.462 176.231 -99.200 -91.000 PHE 43 1.000 41.532 18.694 175.089 -99.200 -91.000 TYR 48 0.840 37.257 18.111 168.136 -99.200 -91.000 TYR 54 0.840 29.354 13.130 153.267 -99.200 -91.000 TYR 86 0.840 33.387 21.620 105.826 -99.200 -91.000 PHE 112 1.000 34.302 15.073 79.194 -99.200 -91.000 TYR 120 0.840 33.326 -2.277 74.847 -99.200 -91.000 TYR 143 0.840 21.327 27.096 72.027 -99.200 -91.000 PHE 163 1.000 43.060 10.020 64.892 -99.200 -91.000 PHE 169 1.000 31.192 5.351 61.141 -99.200 -91.000 TYR 172 0.840 19.789 8.428 59.145 -99.200 -91.000 PHE 191 1.000 30.424 38.382 48.557 -99.200 -91.000 HIS 223 0.900 20.896 28.388 39.808 -99.200 -91.000 TYR 232 0.840 19.145 38.447 40.137 -99.200 -91.000 TYR 258 0.840 38.365 9.193 33.363 -99.200 -91.000 PHE 280 1.000 25.627 16.858 22.564 -99.200 -91.000 TYR 281 0.840 20.693 10.997 22.587 -99.200 -91.000 PHE 288 1.000 27.586 14.140 17.706 -99.200 -91.000 TYR 289 0.840 19.270 13.705 18.937 -99.200 -91.000 HIS 310 0.900 25.343 7.679 6.493 -99.200 -91.000 TYR 316 0.840 29.529 10.058 -2.304 -99.200 -91.000 HIS 332 0.900 37.503 10.311 -27.426 -99.200 -91.000