============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TRP 20 1.040 17.468 -9.493 21.319 -99.200 -91.000 TRP6 20 1.020 19.465 -8.421 20.621 -99.200 -91.000 TYR 39 0.840 15.656 -3.131 37.203 -99.200 -91.000 HIS 41 0.900 11.184 1.383 30.901 -99.200 -91.000 HIS 46 0.900 4.812 -11.762 18.487 -99.200 -91.000 TYR 48 0.840 13.088 -8.154 22.244 -99.200 -91.000 PHE 73 1.000 6.070 3.983 30.454 -99.200 -91.000 TRP 79 1.040 9.284 -8.736 13.357 -99.200 -91.000 TRP6 79 1.020 11.362 -7.748 13.916 -99.200 -91.000 TYR 82 0.840 2.936 -9.524 13.401 -99.200 -91.000 HIS 83 0.900 6.277 -1.760 9.938 -99.200 -91.000 TYR 103 0.840 -2.707 0.373 31.201 -99.200 -91.000 TYR 107 0.840 2.446 -2.240 19.981 -99.200 -91.000 HIS 110 0.900 11.588 -4.523 17.747 -99.200 -91.000 TRP 111 1.040 14.169 -3.131 13.838 -99.200 -91.000 TRP6 111 1.020 16.366 -2.270 13.641 -99.200 -91.000 PHE 115 1.000 11.578 -7.147 7.830 -99.200 -91.000 PHE 121 1.000 8.650 -13.542 14.792 -99.200 -91.000 PHE 122 1.000 14.789 -10.471 10.615 -99.200 -91.000 TRP 141 1.040 2.269 8.194 14.012 -99.200 -91.000 TRP6 141 1.020 3.572 7.273 15.760 -99.200 -91.000 PHE 161 1.000 10.413 5.022 12.644 -99.200 -91.000 HIS 163 0.900 17.279 15.200 11.599 -99.200 -91.000 TYR 177 0.840 -3.439 10.682 19.719 -99.200 -91.000 HIS 187 0.900 27.117 1.546 22.153 -99.200 -91.000 TYR 189 0.840 33.401 1.369 22.783 -99.200 -91.000 TYR 198 0.840 14.655 16.233 14.289 -99.200 -91.000 TYR 209 0.840 18.686 -0.558 20.260 -99.200 -91.000 TRP 219 1.040 25.411 -9.131 15.818 -99.200 -91.000 TRP6 219 1.020 23.106 -9.368 16.126 -99.200 -91.000 HIS 240 0.900 32.427 9.115 39.685 -99.200 -91.000 PHE 251 1.000 27.718 8.401 28.163 -99.200 -91.000 PHE 273 1.000 15.905 0.485 40.334 -99.200 -91.000 PHE 276 1.000 17.588 5.712 39.839 -99.200 -91.000 PHE 278 1.000 27.426 6.532 39.733 -99.200 -91.000 TYR 291 0.840 36.365 7.017 26.401 -99.200 -91.000 TRP 295 1.040 31.086 -1.871 17.318 -99.200 -91.000 TRP6 295 1.020 30.142 -2.715 19.296 -99.200 -91.000 HIS 306 0.900 12.231 -2.178 3.904 -99.200 -91.000 TYR 309 0.840 20.035 -0.531 6.861 -99.200 -91.000 PHE 311 1.000 20.405 1.659 12.074 -99.200 -91.000 HIS 312 0.900 21.456 2.366 3.280 -99.200 -91.000 PHE 315 1.000 21.993 13.762 11.600 -99.200 -91.000