============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. PHE 21 1.000 11.744 -6.623 3.506 -99.200 -91.000 HIS 23 0.900 5.569 2.768 -1.880 -99.200 -91.000 HIS 25 0.900 2.306 -1.974 -3.241 -99.200 -91.000 PHE 38 1.000 6.830 7.801 -4.459 -99.200 -91.000 HIS 57 0.900 35.258 5.558 -2.463 -99.200 -91.000 PHE 61 1.000 18.918 8.034 -7.578 -99.200 -91.000 HIS 73 0.900 -2.301 1.971 -8.105 -99.200 -91.000 TYR 77 0.840 -0.552 14.171 -13.169 -99.200 -91.000 HIS 92 0.900 25.287 12.344 -7.489 -99.200 -91.000 PHE 96 1.000 11.597 9.125 -11.661 -99.200 -91.000 HIS 97 0.900 15.225 3.606 -18.505 -99.200 -91.000 PHE 121 1.000 7.428 10.074 -13.818 -99.200 -91.000 PHE 129 1.000 7.635 2.035 -17.165 -99.200 -91.000 TYR 131 0.840 14.801 5.110 -9.095 -99.200 -91.000 HIS 132 0.900 19.798 5.581 -15.938 -99.200 -91.000 TRP 141 1.040 32.511 6.633 -11.943 -99.200 -91.000 TRP6 141 1.020 32.798 8.718 -10.901 -99.200 -91.000 HIS 142 0.900 27.326 10.254 -11.253 -99.200 -91.000 HIS 160 0.900 -7.094 -7.546 -14.493 -99.200 -91.000 TYR 169 0.840 1.608 -7.605 -5.828 -99.200 -91.000 TYR 173 0.840 10.372 -10.648 -0.717 -99.200 -91.000 TYR 174 0.840 13.948 -2.800 -7.126 -99.200 -91.000 PHE 180 1.000 28.551 -2.465 -7.083 -99.200 -91.000 TYR 181 0.840 31.467 -3.070 -14.904 -99.200 -91.000 TYR 190 0.840 38.016 -7.609 -6.335 -99.200 -91.000 TYR 193 0.840 40.808 3.181 -6.210 -99.200 -91.000 TYR 200 0.840 36.150 9.011 -14.497 -99.200 -91.000 HIS 214 0.900 33.013 -7.764 -6.617 -99.200 -91.000 PHE 217 1.000 20.322 -11.221 -7.730 -99.200 -91.000 HIS 242 0.900 16.549 -9.607 -11.345 -99.200 -91.000 HIS 252 0.900 16.068 -21.254 -13.288 -99.200 -91.000 HIS 257 0.900 8.726 -24.296 -12.772 -99.200 -91.000 TYR 260 0.840 0.012 -16.013 -14.689 -99.200 -91.000 TRP 262 1.040 3.223 -8.822 -17.052 -99.200 -91.000 TRP6 262 1.020 2.741 -9.807 -14.950 -99.200 -91.000 PHE 267 1.000 2.878 -4.570 -14.591 -99.200 -91.000 TRP 278 1.040 12.193 -13.855 -15.277 -99.200 -91.000 TRP6 278 1.020 11.792 -15.787 -13.957 -99.200 -91.000 PHE 279 1.000 18.271 -11.226 -22.157 -99.200 -91.000 PHE 289 1.000 0.984 -13.639 -9.369 -99.200 -91.000 TYR 290 0.840 6.767 -20.528 -8.447 -99.200 -91.000 PHE 292 1.000 8.056 -19.279 -3.713 -99.200 -91.000 TYR 298 0.840 11.604 -22.790 -3.800 -99.200 -91.000 TYR 300 0.840 15.086 -13.935 -8.476 -99.200 -91.000 HIS 303 0.900 20.539 -21.218 -14.922 -99.200 -91.000 PHE 309 1.000 24.878 -20.678 -7.822 -99.200 -91.000 HIS 316 0.900 20.718 -18.547 -0.323 -99.200 -91.000 PHE 317 1.000 12.007 -15.763 -2.920 -99.200 -91.000 TRP 323 1.040 8.430 -33.109 -0.832 -99.200 -91.000 TRP6 323 1.020 9.919 -31.640 -1.932 -99.200 -91.000