============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. PHE 14 1.000 175.908 131.651 7.411 -99.200 -91.000 TYR 15 0.840 169.696 137.203 10.772 -99.200 -91.000 TRP 29 1.040 147.329 131.219 16.378 -99.200 -91.000 TRP6 29 1.020 148.229 132.632 18.058 -99.200 -91.000 PHE 33 1.000 146.456 130.791 21.735 -99.200 -91.000 HIS 39 0.900 144.428 140.223 11.666 -99.200 -91.000 TYR 40 0.840 154.861 138.000 11.585 -99.200 -91.000 PHE 61 1.000 150.494 139.109 6.538 -99.200 -91.000 PHE 84 1.000 148.230 152.231 10.066 -99.200 -91.000 HIS 86 0.900 151.837 153.075 16.259 -99.200 -91.000 PHE 96 1.000 150.091 153.529 1.479 -99.200 -91.000 PHE 107 1.000 139.387 154.483 19.538 -99.200 -91.000 PHE 111 1.000 143.884 166.176 20.972 -99.200 -91.000 HIS 117 0.900 134.257 163.505 11.613 -99.200 -91.000 TYR 119 0.840 143.182 164.333 7.459 -99.200 -91.000 HIS 120 0.900 140.526 154.707 6.656 -99.200 -91.000 PHE 144 1.000 152.044 152.922 21.716 -99.200 -91.000 HIS 153 0.900 135.957 161.987 26.385 -99.200 -91.000 TYR 157 0.840 136.068 163.293 20.543 -99.200 -91.000 PHE 170 1.000 144.293 141.776 26.065 -99.200 -91.000 HIS 171 0.900 151.567 143.310 22.999 -99.200 -91.000 TYR 182 0.840 148.651 137.185 27.305 -99.200 -91.000 TYR 183 0.840 140.587 134.754 34.050 -99.200 -91.000 PHE 193 1.000 132.137 143.008 22.831 -99.200 -91.000 HIS 201 0.900 130.680 152.993 19.366 -99.200 -91.000 TYR 204 0.840 132.377 142.979 14.149 -99.200 -91.000 HIS 213 0.900 158.954 134.425 24.635 -99.200 -91.000 TYR 225 0.840 145.045 131.109 34.053 -99.200 -91.000 PHE 233 1.000 135.943 137.095 32.266 -99.200 -91.000 PHE 234 1.000 135.149 139.210 25.194 -99.200 -91.000 PHE 248 1.000 152.945 130.540 18.906 -99.200 -91.000 PHE 249 1.000 152.433 132.445 14.194 -99.200 -91.000 HIS 252 0.900 161.421 128.842 18.883 -99.200 -91.000 TYR 253 0.840 161.798 132.688 8.767 -99.200 -91.000 TYR 270 0.840 191.047 131.287 26.914 -99.200 -91.000 TYR 272 0.840 186.961 133.571 22.167 -99.200 -91.000 PHE 273 1.000 186.860 142.522 20.335 -99.200 -91.000 PHE 274 1.000 181.809 135.755 18.403 -99.200 -91.000 TYR 279 0.840 175.503 150.198 18.669 -99.200 -91.000 PHE 282 1.000 174.056 138.360 18.131 -99.200 -91.000 PHE 287 1.000 167.022 148.823 22.454 -99.200 -91.000 TYR 306 0.840 182.139 123.702 27.435 -99.200 -91.000 TYR 312 0.840 184.518 142.440 24.702 -99.200 -91.000 HIS 324 0.900 178.514 142.469 29.511 -99.200 -91.000 HIS 332 0.900 191.442 127.707 18.329 -99.200 -91.000 TRP 336 1.040 182.122 130.598 9.708 -99.200 -91.000 TRP6 336 1.020 180.811 132.508 9.214 -99.200 -91.000 TYR 338 0.840 173.852 126.651 15.292 -99.200 -91.000 PHE 339 1.000 175.233 133.896 19.357 -99.200 -91.000 TRP 342 1.040 169.736 136.422 17.225 -99.200 -91.000 TRP6 342 1.020 169.771 136.262 19.587 -99.200 -91.000 TYR 345 0.840 160.133 142.116 18.398 -99.200 -91.000 PHE 353 1.000 177.906 153.466 15.895 -99.200 -91.000 PHE 356 1.000 182.346 146.734 11.579 -99.200 -91.000 TYR 359 0.840 170.767 140.909 7.579 -99.200 -91.000 TYR 362 0.840 173.614 131.625 2.581 -99.200 -91.000 TYR 363 0.840 165.126 132.917 2.637 -99.200 -91.000