============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 12 0.840 30.295 48.085 47.945 -99.200 -91.000 HIS 19 0.900 48.238 52.029 44.586 -99.200 -91.000 TYR 28 0.840 41.834 49.603 40.387 -99.200 -91.000 TYR 31 0.840 30.226 41.883 46.929 -99.200 -91.000 HIS 42 0.900 30.952 31.394 37.063 -99.200 -91.000 PHE 45 1.000 33.156 39.766 30.622 -99.200 -91.000 TYR 47 0.840 37.682 41.752 34.221 -99.200 -91.000 TYR 57 0.840 28.128 55.119 43.675 -99.200 -91.000 TRP 67 1.040 20.657 59.743 32.304 -99.200 -91.000 TRP6 67 1.020 19.846 58.891 34.355 -99.200 -91.000 TYR 76 0.840 25.217 60.568 27.875 -99.200 -91.000 PHE 98 1.000 20.424 49.176 37.253 -99.200 -91.000 PHE 102 1.000 26.030 43.736 43.016 -99.200 -91.000 TYR 131 0.840 15.608 62.822 63.025 -99.200 -91.000 PHE 142 1.000 11.459 55.537 52.918 -99.200 -91.000 PHE 143 1.000 13.428 59.339 56.052 -99.200 -91.000 PHE 151 1.000 9.386 55.316 57.754 -99.200 -91.000 TRP 155 1.040 9.992 65.664 53.770 -99.200 -91.000 TRP6 155 1.020 12.206 66.025 53.014 -99.200 -91.000 TYR 157 0.840 14.513 66.988 63.047 -99.200 -91.000 PHE 166 1.000 18.044 67.762 54.593 -99.200 -91.000 TYR 184 0.840 23.798 64.203 61.793 -99.200 -91.000 TYR 186 0.840 24.606 59.967 56.861 -99.200 -91.000 TYR 195 0.840 33.944 48.623 54.979 -99.200 -91.000 TYR 216 0.840 24.345 48.378 46.642 -99.200 -91.000 TRP 250 1.040 36.014 41.566 49.675 -99.200 -91.000 TRP6 250 1.020 38.183 42.498 49.816 -99.200 -91.000 TRP 251 1.040 29.894 44.917 54.361 -99.200 -91.000 TRP6 251 1.020 30.202 44.824 52.014 -99.200 -91.000 TYR 252 0.840 29.475 41.131 58.578 -99.200 -91.000