============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 7 0.840 47.109 24.254 68.798 -99.200 -91.000 TYR 13 0.840 54.649 17.814 76.563 -99.200 -91.000 TRP 33 1.040 44.244 30.413 78.348 -99.200 -91.000 TRP6 33 1.020 45.798 28.904 79.293 -99.200 -91.000 TYR 41 0.840 46.006 17.662 78.057 -99.200 -91.000 TRP 50 1.040 57.416 13.282 82.138 -99.200 -91.000 TRP6 50 1.020 57.437 11.568 80.501 -99.200 -91.000 TYR 54 0.840 68.358 18.883 82.059 -99.200 -91.000 HIS 58 0.900 66.099 28.313 77.972 -99.200 -91.000 TYR 70 0.840 48.628 38.678 78.055 -99.200 -91.000 HIS 77 0.900 45.877 27.088 90.196 -99.200 -91.000 PHE 97 1.000 57.853 6.920 88.480 -99.200 -91.000 PHE 107 1.000 58.689 24.070 84.676 -99.200 -91.000 TYR 112 0.840 66.093 32.713 91.907 -99.200 -91.000 TYR 114 0.840 63.591 32.413 81.820 -99.200 -91.000 PHE 123 1.000 69.046 29.697 99.324 -99.200 -91.000 TYR 127 0.840 68.768 24.527 104.508 -99.200 -91.000 PHE 129 1.000 65.883 18.390 96.223 -99.200 -91.000 PHE 132 1.000 59.867 13.929 102.864 -99.200 -91.000 HIS 148 0.900 67.962 7.955 97.815 -99.200 -91.000 PHE 150 1.000 67.256 11.169 91.617 -99.200 -91.000 TYR 165 0.840 71.515 33.435 87.566 -99.200 -91.000 PHE 166 1.000 70.115 31.154 94.971 -99.200 -91.000 PHE 178 1.000 71.837 23.044 100.551 -99.200 -91.000 TYR 181 0.840 72.842 22.858 108.674 -99.200 -91.000 PHE 182 1.000 75.248 18.629 98.711 -99.200 -91.000 TYR 185 0.840 72.204 13.594 102.309 -99.200 -91.000 TRP 187 1.040 82.660 14.132 103.986 -99.200 -91.000 TRP6 187 1.020 84.240 12.383 103.722 -99.200 -91.000 TRP 188 1.040 75.514 12.422 108.902 -99.200 -91.000 TRP6 188 1.020 73.566 13.709 109.114 -99.200 -91.000 TRP 195 1.040 79.175 3.979 100.708 -99.200 -91.000 TRP6 195 1.020 78.307 3.361 98.605 -99.200 -91.000 HIS 199 0.900 79.283 -2.100 96.747 -99.200 -91.000 PHE 201 1.000 80.010 8.315 97.961 -99.200 -91.000 TYR 207 0.840 86.267 12.619 89.608 -99.200 -91.000 PHE 240 1.000 72.725 28.960 111.880 -99.200 -91.000