============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 27 0.840 14.092 -15.588 15.253 -99.200 -91.000 PHE 55 1.000 5.566 0.591 5.049 -99.200 -91.000 HIS 91 0.900 12.621 -1.552 11.315 -99.200 -91.000 TYR 101 0.840 20.179 10.102 12.266 -99.200 -91.000 PHE 102 1.000 14.745 8.264 5.109 -99.200 -91.000 HIS 104 0.900 15.812 12.170 15.605 -99.200 -91.000 PHE 115 1.000 10.954 3.372 13.540 -99.200 -91.000 TYR 163 0.840 22.513 11.517 21.035 -99.200 -91.000 PHE 175 1.000 18.144 -2.043 19.532 -99.200 -91.000 TYR 182 0.840 19.032 3.264 27.648 -99.200 -91.000 TYR 192 0.840 9.927 6.772 36.952 -99.200 -91.000 TYR 193 0.840 9.737 10.895 28.241 -99.200 -91.000 HIS 201 0.900 13.970 16.402 17.469 -99.200 -91.000 PHE 207 1.000 18.637 16.821 6.093 -99.200 -91.000 TYR 222 0.840 35.205 -2.676 9.789 -99.200 -91.000 TYR 224 0.840 40.036 -4.318 6.171 -99.200 -91.000 TYR 230 0.840 39.557 -5.081 -3.621 -99.200 -91.000 TYR 232 0.840 38.507 3.699 -0.060 -99.200 -91.000 HIS 238 0.900 29.851 -1.432 -9.382 -99.200 -91.000 TYR 245 0.840 38.127 4.907 6.705 -99.200 -91.000 HIS 300 0.900 22.516 5.959 14.309 -99.200 -91.000 TYR 321 0.840 22.614 19.773 5.685 -99.200 -91.000 PHE 322 1.000 27.217 13.462 8.374 -99.200 -91.000 HIS 323 0.900 30.817 19.156 13.168 -99.200 -91.000 TYR 325 0.840 19.570 18.417 10.637 -99.200 -91.000