============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 2 1.040 26.100 11.291 -2.550 -99.200 -91.000 TRP6 2 1.020 25.216 12.038 -4.610 -99.200 -91.000 PHE 6 1.000 25.386 18.443 -4.332 -99.200 -91.000 TRP 10 1.040 22.148 17.312 1.952 -99.200 -91.000 TRP6 10 1.020 20.768 15.620 1.047 -99.200 -91.000 TYR 41 0.840 -11.285 22.428 21.246 -99.200 -91.000 HIS 54 0.900 7.116 21.189 19.218 -99.200 -91.000 TRP 71 1.040 -11.254 34.603 8.434 -99.200 -91.000 TRP6 71 1.020 -12.610 32.927 7.472 -99.200 -91.000 TYR 86 0.840 1.214 17.091 24.786 -99.200 -91.000 HIS 103 0.900 -9.169 18.604 -11.574 -99.200 -91.000 TYR 110 0.840 -1.856 0.765 -9.940 -99.200 -91.000 HIS 120 0.900 14.945 5.804 -17.420 -99.200 -91.000 TRP 122 1.040 21.655 1.869 -11.627 -99.200 -91.000 TRP6 122 1.020 23.288 1.491 -9.957 -99.200 -91.000 TYR 123 0.840 14.401 2.557 -9.157 -99.200 -91.000 PHE 132 1.000 1.725 20.632 2.955 -99.200 -91.000 PHE 133 1.000 5.352 24.921 8.748 -99.200 -91.000 HIS 138 0.900 -1.011 39.117 -0.956 -99.200 -91.000 PHE 145 1.000 -4.984 29.302 6.082 -99.200 -91.000 PHE 147 1.000 -2.054 29.278 16.360 -99.200 -91.000 TRP 149 1.040 1.069 30.624 22.415 -99.200 -91.000 TRP6 149 1.020 0.858 28.290 22.743 -99.200 -91.000 TRP 162 1.040 -0.490 28.697 10.775 -99.200 -91.000 TRP6 162 1.020 1.253 27.447 11.770 -99.200 -91.000 PHE 169 1.000 -5.783 26.028 2.342 -99.200 -91.000 PHE 176 1.000 5.893 21.294 -1.780 -99.200 -91.000 HIS 181 0.900 4.685 18.337 -11.138 -99.200 -91.000 PHE 187 1.000 16.514 17.938 -12.386 -99.200 -91.000 HIS 191 0.900 19.420 17.568 -15.422 -99.200 -91.000 TYR 199 0.840 1.517 11.243 -3.352 -99.200 -91.000 TYR 229 0.840 10.846 24.163 -3.363 -99.200 -91.000 TYR 245 0.840 8.384 7.808 -4.747 -99.200 -91.000 TYR 248 0.840 3.304 0.832 -4.534 -99.200 -91.000