============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 27 1.000 25.169 -14.308 -18.464 -99.200 -91.000 PHE 29 1.000 31.283 -12.820 -17.379 -99.200 -91.000 TYR 32 0.840 24.306 -12.515 -23.146 -99.200 -91.000 TRP 36 1.040 31.378 -4.068 -11.921 -99.200 -91.000 TRP6 36 1.020 30.802 -5.251 -9.957 -99.200 -91.000 TRP 47 1.040 27.824 3.263 -16.631 -99.200 -91.000 TRP6 47 1.020 29.161 4.867 -17.732 -99.200 -91.000 TYR 58 0.840 32.833 1.428 -23.688 -99.200 -91.000 TYR 59 0.840 37.137 2.011 -16.536 -99.200 -91.000 PHE 67 1.000 35.202 3.124 -8.115 -99.200 -91.000 TYR 79 0.840 37.413 -11.195 -11.119 -99.200 -91.000 TYR 92 0.840 30.256 -0.010 -5.527 -99.200 -91.000 TYR 93 0.840 21.909 -3.294 -7.120 -99.200 -91.000 TYR 97 0.840 24.013 -3.714 -23.978 -99.200 -91.000 TYR 98 0.840 17.957 -10.074 -23.941 -99.200 -91.000 TYR 100 0.840 23.577 -6.559 -31.816 -99.200 -91.000 TRP 103 1.040 23.087 0.307 -22.424 -99.200 -91.000 TRP6 103 1.020 25.385 0.375 -21.864 -99.200 -91.000 PHE 104 1.000 22.414 -0.546 -16.645 -99.200 -91.000 TRP 107 1.040 19.386 -4.752 -12.828 -99.200 -91.000 TRP6 107 1.020 20.296 -2.632 -12.314 -99.200 -91.000 TYR 126 0.840 20.177 -3.987 24.700 -99.200 -91.000 TYR 149 0.840 23.613 -2.494 12.960 -99.200 -91.000 PHE 150 1.000 30.230 2.245 10.429 -99.200 -91.000 TRP 158 1.040 11.195 -11.965 14.469 -99.200 -91.000 TRP6 158 1.020 11.384 -11.364 16.743 -99.200 -91.000 HIS 168 0.900 4.893 -5.090 10.641 -99.200 -91.000 PHE 170 1.000 9.453 -1.104 12.581 -99.200 -91.000 TYR 179 0.840 24.527 2.132 9.961 -99.200 -91.000 TRP 192 1.040 6.280 -14.601 24.187 -99.200 -91.000 TRP6 192 1.020 5.494 -12.954 25.686 -99.200 -91.000 HIS 203 0.900 27.844 -6.055 12.623 -99.200 -91.000