============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 6 1.000 11.061 21.119 -3.220 -99.200 -91.000 TYR 16 0.840 10.391 24.218 1.373 -99.200 -91.000 PHE 19 1.000 15.425 22.594 -1.865 -99.200 -91.000 TYR 35 0.840 25.954 34.104 20.898 -99.200 -91.000 TYR 49 0.840 30.578 29.528 -7.985 -99.200 -91.000 TYR 72 0.840 22.351 38.310 -3.170 -99.200 -91.000 TYR 76 0.840 16.681 31.184 -15.421 -99.200 -91.000 TYR 80 0.840 15.172 27.296 -26.948 -99.200 -91.000 TYR 86 0.840 25.683 30.467 -21.137 -99.200 -91.000 HIS 87 0.900 17.786 31.364 -19.228 -99.200 -91.000 PHE 89 1.000 19.490 37.554 -11.342 -99.200 -91.000 TYR 118 0.840 15.500 41.006 -15.097 -99.200 -91.000 TYR 122 0.840 14.400 40.098 -2.590 -99.200 -91.000 PHE 157 1.000 12.036 33.309 -20.533 -99.200 -91.000 PHE 165 1.000 12.087 30.357 -11.980 -99.200 -91.000 PHE 179 1.000 16.453 35.426 7.468 -99.200 -91.000 TYR 181 0.840 8.585 34.124 10.262 -99.200 -91.000 PHE 190 1.000 4.874 21.958 0.815 -99.200 -91.000 PHE 194 1.000 3.799 31.783 1.642 -99.200 -91.000 TRP 207 1.040 21.063 36.066 5.994 -99.200 -91.000 TRP6 207 1.020 22.657 35.820 4.293 -99.200 -91.000 HIS 215 0.900 31.488 37.804 14.073 -99.200 -91.000 TRP 236 1.040 11.319 40.744 17.339 -99.200 -91.000 TRP6 236 1.020 12.095 39.023 15.961 -99.200 -91.000 TYR 253 0.840 33.517 34.938 6.047 -99.200 -91.000