============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 32 1.000 -156.793 101.366-207.420 -99.200 -91.000 HIS 33 0.900 -153.978 97.392-200.580 -99.200 -91.000 TRP 34 1.040 -160.666 100.768-202.334 -99.200 -91.000 TRP6 34 1.020 -161.101 102.697-203.631 -99.200 -91.000 TRP 36 1.040 -164.401 103.560-193.978 -99.200 -91.000 TRP6 36 1.020 -166.105 105.027-194.681 -99.200 -91.000 TYR 47 0.840 -154.844 103.254-191.092 -99.200 -91.000 TYR 50 0.840 -154.448 97.899-195.090 -99.200 -91.000 TYR 52 0.840 -156.030 93.732-202.288 -99.200 -91.000 TYR 53 0.840 -159.256 93.013-205.642 -99.200 -91.000 TYR 59 0.840 -160.462 95.852-189.306 -99.200 -91.000 PHE 78 1.000 -164.159 102.113-199.072 -99.200 -91.000 TYR 92 0.840 -166.212 108.969-188.121 -99.200 -91.000 TYR 93 0.840 -162.151 114.081-194.187 -99.200 -91.000 PHE 98 1.000 -150.065 107.251-201.839 -99.200 -91.000 TYR 101 0.840 -148.398 92.957-201.218 -99.200 -91.000 HIS 102 0.900 -142.544 95.277-197.336 -99.200 -91.000 TYR 103 0.840 -145.279 90.101-203.691 -99.200 -91.000 PHE 108 1.000 -151.468 99.389-199.019 -99.200 -91.000 PHE 113 1.000 -154.596 107.203-195.974 -99.200 -91.000 TRP 116 1.040 -157.771 112.283-199.019 -99.200 -91.000 TRP6 116 1.020 -157.606 112.106-196.680 -99.200 -91.000 PHE 135 1.000 -175.561 129.361-165.466 -99.200 -91.000 TYR 158 0.840 -176.195 124.905-177.255 -99.200 -91.000 PHE 159 1.000 -178.442 116.632-179.504 -99.200 -91.000 TRP 167 1.040 -173.776 140.404-177.142 -99.200 -91.000 TRP6 167 1.020 -173.550 140.600-174.787 -99.200 -91.000 HIS 177 0.900 -164.892 136.059-182.496 -99.200 -91.000 PHE 179 1.000 -164.625 133.407-178.190 -99.200 -91.000 TYR 189 0.840 -173.452 120.563-180.134 -99.200 -91.000 TYR 207 0.840 -173.097 147.271-172.292 -99.200 -91.000 HIS 213 0.900 -181.504 124.694-178.349 -99.200 -91.000