============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 3 0.840 34.234-221.123 30.193 -99.200 -91.000 HIS 6 0.900 34.066-221.301 35.304 -99.200 -91.000 PHE 10 1.000 18.407-216.208 33.816 -99.200 -91.000 TYR 17 0.840 24.176-224.478 38.501 -99.200 -91.000 TYR 21 0.840 28.286-223.443 42.674 -99.200 -91.000 PHE 23 1.000 21.457-217.527 48.972 -99.200 -91.000 TYR 62 0.840 32.237-212.722 61.614 -99.200 -91.000 PHE 64 1.000 30.585-205.374 60.538 -99.200 -91.000 PHE 95 1.000 17.087-192.098 53.206 -99.200 -91.000 TYR 97 0.840 24.619-183.485 51.802 -99.200 -91.000 TYR 99 0.840 16.763-188.806 49.577 -99.200 -91.000 TYR 101 0.840 13.499-189.631 55.836 -99.200 -91.000 TYR 119 0.840 27.158-206.369 43.933 -99.200 -91.000 TYR 124 0.840 31.575-204.709 36.618 -99.200 -91.000 PHE 134 1.000 21.240-204.183 56.535 -99.200 -91.000 TYR 146 0.840 12.239-204.682 57.171 -99.200 -91.000 TYR 153 0.840 13.489-213.005 49.795 -99.200 -91.000 TYR 154 0.840 13.742-205.638 50.873 -99.200 -91.000 TYR 157 0.840 13.120-212.720 57.729 -99.200 -91.000 HIS 176 0.900 7.933-217.353 72.139 -99.200 -91.000 PHE 177 1.000 7.855-215.124 67.910 -99.200 -91.000 HIS 183 0.900 5.144-207.785 70.787 -99.200 -91.000 TRP 188 1.040 17.935-202.693 76.973 -99.200 -91.000 TRP6 188 1.020 20.002-203.776 77.367 -99.200 -91.000 PHE 194 1.000 12.019-215.475 73.544 -99.200 -91.000 HIS 198 0.900 12.875-219.466 73.100 -99.200 -91.000 PHE 207 1.000 25.633-220.271 73.233 -99.200 -91.000 PHE 222 1.000 23.120-202.277 66.818 -99.200 -91.000 PHE 223 1.000 22.349-200.668 73.731 -99.200 -91.000