Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.D1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.24 L 0.16 F 0.08 Y 0.06 C 0.06 K 0.02 C Shift Assignments>> C :: 173.94000 CA :: 53.40000 CB :: 40.50000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.58200 HA :: 4.56600 HB2 :: 2.57500 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.50000 Ave N Shift Values>> N :: 120.65(3.86) 1.C2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.18 E 0.14 C 0.14 Q 0.13 M 0.1 K 0.08 C Shift Assignments>> C :: 172.64999 CA :: 56.00000 CB :: 30.60000 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.91800 HA :: 5.23300 HB2 :: 2.95900 HB3 :: 2.74700 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.00000 Ave N Shift Values>> N :: 120.17(4.64) 1.C3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.18 E 0.14 C 0.14 Q 0.13 M 0.11 K 0.08 C Shift Assignments>> C :: 170.83000 CA :: 55.90000 CB :: 30.60000 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.35400 HA :: 4.93000 HB2 :: 3.00800 HB3 :: 2.96200 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.88000 Ave N Shift Values>> N :: 120.17(4.64) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 176.53000 CA :: 59.60000 CG2 :: 17.80000 CD1 :: 11.90000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.43800 HA :: 4.88700 HB :: 1.78600 HG12 :: 1.54900 HG13 :: 1.14900 HG21 :: 0.83400 HG22 :: 0.83400 HG23 :: 0.83400 HD11 :: 0.80600 HD12 :: 0.80600 HD13 :: 0.80600 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.00000 Ave N Shift Values>> N :: 121.46(4.28) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.06 A 0.02 C Shift Assignments>> C :: 173.67999 CA :: 58.60000 CG2 :: 17.60000 CD1 :: 12.50000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.96300 HA :: 5.29300 HB :: 2.09000 HG12 :: 1.10100 HG13 :: 0.98700 HG21 :: 0.71500 HG22 :: 0.71500 HG23 :: 0.71500 HD11 :: -0.16600 HD12 :: -0.16600 HD13 :: -0.16600 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.29000 Ave N Shift Values>> N :: 121.46(4.28) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.34 G 0.09 K 0.09 C Shift Assignments>> C :: 176.00999 CA :: 55.00000 CB :: 32.20000 CG :: 27.50000 CD :: 43.50000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.99100 HA :: 5.27000 HB2 :: 2.14800 HB3 :: 1.67500 HG2 :: 1.57900 HG3 :: 1.40600 HD2 :: 2.91400 HD3 :: 2.61900 HE :: 7.29500 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.07000 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 V 0.16 E 0.1 K 0.07 I 0.07 Q 0.06 M 0.06 Y 0.04 F 0.01 R 0.01 H 0.01 C Shift Assignments>> CA :: 60.20000 CB :: 34.90000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.45400 HA :: 5.33500 HB :: 1.90600 HG11 :: 0.79300 HG12 :: 0.79300 HG13 :: 0.79300 HG21 :: 0.86100 HG22 :: 0.86100 HG23 :: 0.86100 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.11000 Ave N Shift Values>> N :: 121.14(4.54) 1.S8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> S 0.26 V 0.22 P 0.17 T 0.17 I 0.12 C 0.02 C Shift Assignments>> C :: 172.13000 CB :: 64.80000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.38000 HA :: 5.11300 HB2 :: 3.42100 HB3 :: 3.16800 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 128.07001(S) Ave N Shift Values>> N :: 116.28(3.52) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 C 0.21 A 0.03 R 0.01 C Shift Assignments>> C :: 177.56000 CA :: 53.90000 CB :: 42.00000 CG :: 26.90000 CD1 :: 23.50000 CD2 :: 24.90000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.76900 HA :: 4.70600 HB2 :: 1.56900 HB3 :: 1.35900 HG :: 1.06300 HD11 :: 0.53900 HD12 :: 0.53900 HD13 :: 0.53900 HD21 :: 0.85700 HD22 :: 0.85700 HD23 :: 0.85700 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.79000 Ave N Shift Values>> N :: 121.86(3.9) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.21 F 0.14 K 0.12 Y 0.11 C 0.06 N 0.06 R 0.01 I 0.01 C Shift Assignments>> C :: 176.00999 CA :: 55.50000 CB :: 41.00000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.50600 HA :: 4.47300 HB2 :: 2.78300 HB3 :: 2.54200 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.61000 Ave N Shift Values>> N :: 120.65(3.86) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 175.49001 CA :: 61.70000 CB :: 32.70000 CG1 :: 19.50000 CG2 :: 21.20000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.82800 HA :: 4.23100 HB :: 2.20400 HG11 :: 0.89700 HG12 :: 0.89700 HG13 :: 0.89700 HG21 :: 0.96100 HG22 :: 0.96100 HG23 :: 0.96100 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.40000 Ave N Shift Values>> N :: 121.14(4.54) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.17 N 0.16 F 0.11 Y 0.09 C 0.06 K 0.04 C Shift Assignments>> C :: 176.00999 CA :: 54.40000 CB :: 40.50000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.19500 HA :: 4.63100 HB2 :: 2.79000 HB3 :: 2.68500 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.43000 Ave N Shift Values>> N :: 120.65(3.86) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.19 C 0.12 C Shift Assignments>> C :: 174.49001 CA :: 52.90000 CB :: 38.40000 CG :: 177.56000 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.28300 HA :: 4.68200 HB2 :: 2.88700 HB3 :: 2.82400 HD21 :: 6.93300 HD22 :: 7.69700 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.15000 ND2 :: 112.70000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.94000 CA :: 45.60000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.46500 HA2 :: 3.95800 HA3 :: 3.91300 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.89000 Ave N Shift Values>> N :: 109.67(3.87) 1.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.22 C 0.12 C Shift Assignments>> C :: 174.72000 CA :: 53.40000 CB :: 38.90000 CG :: 177.05000 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.17700 HA :: 4.60700 HB2 :: 2.79900 HD21 :: 6.91700 HD22 :: 7.59700 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.18000 ND2 :: 112.10000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.28 A 0.2 HN Overlap>> 1.L41 1.L41 C Shift Assignments>> C :: 175.24001 CA :: 54.70000 CB :: 32.20000 CG :: 32.10000 CE :: 17.00000 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.20200 HA :: 4.61500 HB2 :: 2.14600 HB3 :: 2.08500 HG2 :: 2.59600 HG3 :: 2.55300 HE1 :: 2.15100 HE2 :: 2.15100 HE3 :: 2.15100 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.30000 Ave N Shift Values>> N :: 120.09(3.57) 1.Y17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 175.96001 CA :: 57.90000 CB :: 38.50000 CD1 :: 132.80000 CD2 :: 132.80000 CE1 :: 118.20000 CE2 :: 118.20000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.19700 HA :: 4.69000 HB2 :: 2.87000 HB3 :: 2.83500 HD1 :: 6.98100 HE1 :: 6.88000 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.76000 Ave N Shift Values>> N :: 120.52(4.2) 1.K18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.36800 HA :: 4.75100 HB2 :: 1.52500 HB3 :: 1.29300 HG2 :: 0.94500 HG3 :: 0.57100 HD2 :: 1.58200 HD3 :: 1.06900 HE2 :: 2.82600 HE3 :: 2.70200 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.67000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S75 1.N68 1.S75 1.N68 C Shift Assignments>> C :: 173.67999 CA :: 58.10000 CB :: 63.80000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.78500 HA :: 5.44000 HB2 :: 3.76400 HB3 :: 3.71900 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.19000 Ave N Shift Values>> N :: 116.28(3.52) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.41 A 0.02 C Shift Assignments>> C :: 173.16000 CA :: 58.60000 CB :: 41.00000 CG2 :: 18.70000 CD1 :: 13.50000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.22200 HA :: 4.45800 HB :: 1.70000 HG12 :: 1.21000 HG13 :: 1.15200 HG21 :: 0.76400 HG22 :: 0.76400 HG23 :: 0.76400 HD11 :: 0.66300 HD12 :: 0.66300 HD13 :: 0.66300 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.38000 Ave N Shift Values>> N :: 121.46(4.28) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 K 0.23 C 0.19 R 0.06 G 0.01 C Shift Assignments>> C :: 175.49001 CA :: 54.40000 CB :: 42.50000 CG :: 27.50000 CD1 :: 25.20000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.36700 HA :: 4.69400 HB2 :: 1.71500 HB3 :: 1.45000 HG :: 1.37900 HD11 :: 0.82300 HD12 :: 0.82300 HD13 :: 0.82300 HD21 :: 0.84000 HD22 :: 0.84000 HD23 :: 0.84000 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.86000 Ave N Shift Values>> N :: 121.86(3.9) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.45 C Shift Assignments>> C :: 174.72000 CA :: 60.70000 CB :: 33.70000 CG2 :: 21.20000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.26900 HA :: 4.36200 HB :: 2.16100 HG11 :: 0.79500 HG12 :: 0.79500 HG13 :: 0.79500 HG21 :: 0.93000 HG22 :: 0.93000 HG23 :: 0.93000 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.72000 Ave N Shift Values>> N :: 121.14(4.54) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.23 C Shift Assignments>> C :: 176.78999 CA :: 59.60000 CB :: 71.50000 CG2 :: 20.90000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.88700 HA :: 5.02600 HB :: 4.51100 HG21 :: 1.17200 HG22 :: 1.17200 HG23 :: 1.17200 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.89000 Ave N Shift Values>> N :: 115.42(4.75) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.67999 CA :: 59.60000 CB :: 62.20000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.12600 HA :: 3.33900 HB2 :: 3.89200 HB3 :: 3.06000 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.89000 Ave N Shift Values>> N :: 116.28(3.52) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.54 C 0.35 E 0.1 C Shift Assignments>> C :: 176.00999 CA :: 55.00000 CB :: 29.60000 CG :: 33.80000 CD :: 180.39999 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.57400 HA :: 4.34500 HB2 :: 2.23100 HB3 :: 1.77400 HG2 :: 2.30900 HE21 :: 6.86900 HE22 :: 7.48200 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.15000 NE2 :: 112.60000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.22 K 0.18 F 0.12 Y 0.09 C 0.05 N 0.03 R 0.03 C Shift Assignments>> C :: 176.53000 CA :: 55.50000 CB :: 41.50000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.12600 HA :: 4.52200 HB2 :: 2.77600 HB3 :: 2.42800 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.55000 Ave N Shift Values>> N :: 120.65(3.86) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.37 R 0.09 C Shift Assignments>> C :: 177.56000 CA :: 54.40000 CB :: 34.20000 CG :: 25.90000 CD :: 28.90000 CE :: 41.40000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.04000 HA :: 5.13600 HB2 :: 1.96400 HB3 :: 1.85800 HG2 :: 1.61300 HG3 :: 1.33000 HD2 :: 1.67400 HE2 :: 3.07500 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.07000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 I 0.19 A 0.03 C 0.02 C Shift Assignments>> CA :: 57.40000 CB :: 16.30000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.23900 HA :: 3.85400 HB1 :: 1.52300 HB2 :: 1.52300 HB3 :: 1.52300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.06000 Ave N Shift Values>> N :: 123.23(3.54) 1.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 178.60001 CA :: 66.30000 CB :: 30.60000 CD :: 50.70000 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.29000 HB2 :: 2.41800 HB3 :: 1.87800 HG2 :: 2.21100 HG3 :: 2.08300 HD2 :: 3.55200 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.33 C 0.02 I 0.01 C Shift Assignments>> C :: 180.67000 CA :: 54.40000 CB :: 18.70000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.26200 HA :: 4.20800 HB1 :: 1.58000 HB2 :: 1.58000 HB3 :: 1.58000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.64000 Ave N Shift Values>> N :: 123.23(3.54) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 177.05000 CA :: 66.30000 CB :: 31.10000 CG1 :: 22.10000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.58000 HA :: 3.42000 HB :: 1.99200 HG11 :: 0.64500 HG12 :: 0.64500 HG13 :: 0.64500 HG21 :: 0.95600 HG22 :: 0.95600 HG23 :: 0.95600 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.54000 Ave N Shift Values>> N :: 121.14(4.54) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.08 C Shift Assignments>> CA :: 66.20000 CB :: 40.50000 CG2 :: 18.30000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.89000 HA :: 3.31000 HB :: 1.86400 HG12 :: 0.85000 HG13 :: 0.61000 HG21 :: 0.95300 HG22 :: 0.95300 HG23 :: 0.95300 HD11 :: 0.61400 HD12 :: 0.61400 HD13 :: 0.61400 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.53000 Ave N Shift Values>> N :: 121.46(4.28) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 G 0.26 R 0.23 HN Overlap>> 1.D37 1.D37 C Shift Assignments>> C :: 177.82001 CA :: 59.10000 CB :: 31.70000 CG :: 27.50000 CD :: 44.50000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.13500 HA :: 4.04900 HB2 :: 2.17900 HB3 :: 1.92700 HG2 :: 1.56500 HD2 :: 3.47700 HD3 :: 3.13800 HE :: 6.82400 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.54000 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 K 0.35 R 0.05 C Shift Assignments>> C :: 179.38000 CA :: 59.60000 CB :: 33.20000 CG :: 26.10000 CE :: 41.40000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.53700 HA :: 4.17400 HB2 :: 1.98400 HB3 :: 1.80000 HG2 :: 1.75900 HG3 :: 1.58200 HD2 :: 1.85600 HD3 :: 1.56500 HE2 :: 2.93000 HE3 :: 2.88200 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.66000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.41 C 0.03 I 0.02 C Shift Assignments>> C :: 178.86000 CA :: 55.00000 CB :: 18.70000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.53300 HA :: 3.91300 HB1 :: 1.39200 HB2 :: 1.39200 HB3 :: 1.39200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.13000 Ave N Shift Values>> N :: 123.23(3.54) 1.M36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 S 0.13 Y 0.11 F 0.11 I 0.09 V 0.06 T 0.06 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.60000 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.08800 HA :: 3.47100 HB2 :: 2.04800 HB3 :: 1.99700 HG2 :: 2.54100 HG3 :: 1.51100 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.87000 Ave N Shift Values>> N :: 120.09(3.57) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.14 D 0.1 L 0.07 I 0.06 N 0.05 HN Overlap>> 1.R33 1.R33 C Shift Assignments>> C :: 179.64000 CA :: 57.00000 CB :: 39.40000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.15800 HA :: 4.29000 HB2 :: 2.80400 HB3 :: 2.73900 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.63000 Ave N Shift Values>> N :: 120.65(3.86) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.43 R 0.09 C Shift Assignments>> C :: 176.78999 CA :: 57.00000 CB :: 32.20000 CG :: 25.20000 CD :: 28.50000 CE :: 41.40000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.57700 HA :: 4.18000 HB2 :: 1.73200 HB3 :: 1.54100 HG2 :: 1.52400 HG3 :: 1.44600 HD2 :: 1.70600 HE2 :: 3.09900 HE3 :: 3.05500 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.65000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 C 0.16 H 0.16 E 0.14 M 0.11 K 0.1 Q 0.1 V 0.01 C Shift Assignments>> C :: 173.16000 CA :: 57.10000 CB :: 31.00000 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.54100 HA :: 4.50700 HB2 :: 3.48600 HB3 :: 2.64200 HD2 :: 6.72000 HE1 :: 8.01700 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.57000 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 N 0.37 D 0.09 E 0.08 Q 0.02 C Shift Assignments>> CA :: 54.40000 CB :: 36.80000 CG :: 178.60001 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.96000 HA :: 4.62500 HB2 :: 3.22500 HB3 :: 2.93000 HD21 :: 6.81200 HD22 :: 7.82400 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.55000 ND2 :: 112.30000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.26 K 0.1 I 0.01 HN Overlap>> 1.Y49 1.M16 1.Y49 1.M16 C Shift Assignments>> C :: 177.82001 CA :: 52.90000 CB :: 40.50000 CD1 :: 26.10000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.16000 HA :: 4.77700 HB2 :: 1.37600 HG :: 1.50600 HD11 :: 0.64900 HD12 :: 0.64900 HD13 :: 0.64900 HD21 :: 0.84000 HD22 :: 0.84000 HD23 :: 0.84000 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.25000 Ave N Shift Values>> N :: 121.86(3.9) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.37 I 0.12 K 0.03 M 0.03 Q 0.01 C Shift Assignments>> C :: 177.56000 CA :: 59.10000 CB :: 30.10000 CG :: 36.70000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.81500 HA :: 4.07200 HB2 :: 2.06400 HB3 :: 1.98500 HG2 :: 2.32400 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.24000 Ave N Shift Values>> N :: 120.67(3.48) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.35 K 0.08 I 0.07 Q 0.03 M 0.01 C Shift Assignments>> C :: 176.27000 CA :: 56.50000 CB :: 29.10000 CG :: 36.70000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.68100 HA :: 4.30800 HB2 :: 1.98000 HB3 :: 1.96400 HG2 :: 2.29800 HG3 :: 2.25400 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.10000 Ave N Shift Values>> N :: 120.67(3.48) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.31 M 0.23 C Shift Assignments>> C :: 174.72000 CA :: 55.00000 CB :: 31.70000 CG :: 37.00000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.43100 HA :: 4.54000 HB2 :: 1.81300 HG2 :: 2.37000 HG3 :: 2.26900 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.95000 Ave N Shift Values>> N :: 120.67(3.48) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 M 0.27 E 0.17 Q 0.14 K 0.05 C Shift Assignments>> CA :: 52.20000 CB :: 30.60000 CG :: 35.40000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.08000 HA :: 4.90600 HB2 :: 2.31300 HB3 :: 1.90900 HG2 :: 2.35500 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.30000 Ave N Shift Values>> N :: 120.67(3.48) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 178.08000 CA :: 64.80000 CB :: 32.20000 CD :: 51.00000 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.48400 HB2 :: 2.23600 HB3 :: 2.03900 HG2 :: 1.92700 HD2 :: 3.98600 HD3 :: 4.04600 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.32 I 0.22 K 0.05 Q 0.01 C Shift Assignments>> C :: 176.78999 CA :: 58.60000 CB :: 28.60000 CG :: 36.80000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.86500 HA :: 4.26600 HB2 :: 2.07600 HB3 :: 2.07500 HG2 :: 2.41000 HG3 :: 2.34000 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.98000 Ave N Shift Values>> N :: 120.67(3.48) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.21 F 0.12 K 0.1 Y 0.09 N 0.08 C 0.06 R 0.01 C Shift Assignments>> C :: 174.70000 CA :: 55.00000 CB :: 41.00000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.99500 HA :: 4.71200 HB2 :: 2.95900 HB3 :: 2.70200 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.48000 Ave N Shift Values>> N :: 120.65(3.86) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 G 0.22 C 0.21 HN Overlap>> 1.L41 1.L41 C Shift Assignments>> C :: 173.67999 CA :: 58.10000 CB :: 43.60000 CD1 :: 132.80000 CD2 :: 132.80000 CE1 :: 117.00000 CE2 :: 117.00000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.09400 HA :: 5.03100 HB2 :: 2.85200 HB3 :: 2.74200 HD1 :: 6.88000 HE1 :: 6.71800 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.24000 Ave N Shift Values>> N :: 120.52(4.2) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.31 E 0.08 Q 0.01 C Shift Assignments>> C :: 172.91000 CA :: 53.90000 CB :: 33.70000 CG :: 35.80000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.18000 HA :: 4.65500 HB2 :: 1.95600 HB3 :: 1.90600 HG2 :: 2.14000 HG3 :: 2.06700 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.37000 Ave N Shift Values>> N :: 120.67(3.48) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 G 0.4 C 0.12 A 0.01 R 0.01 C Shift Assignments>> C :: 174.72000 CA :: 52.90000 CB :: 44.60000 CG :: 26.90000 CD1 :: 25.45000 CD2 :: 24.10000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.31700 HA :: 5.18400 HB2 :: 1.84600 HB3 :: 1.27700 HG :: 1.54400 HD11 :: 0.57100 HD12 :: 0.57100 HD13 :: 0.57100 HD21 :: 0.69300 HD22 :: 0.69300 HD23 :: 0.69300 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.28000 Ave N Shift Values>> N :: 121.86(3.9) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 L 0.31 C 0.19 R 0.14 C Shift Assignments>> C :: 175.49001 CA :: 52.90000 CB :: 44.10000 CG :: 28.00000 CD1 :: 25.50000 CD2 :: 26.30000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.05600 HA :: 5.41900 HB2 :: 1.66600 HB3 :: 1.20800 HG :: 1.60200 HD11 :: 0.77800 HD12 :: 0.77800 HD13 :: 0.77800 HD21 :: 0.83600 HD22 :: 0.83600 HD23 :: 0.83600 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.16000 Ave N Shift Values>> N :: 121.86(3.9) 1.Q53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> C 0.51 Q 0.44 E 0.04 C Shift Assignments>> C :: 175.17999 CA :: 54.40000 CB :: 29.60000 CD :: 177.89999 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.56300 HA :: 3.85500 HB2 :: 1.93600 HB3 :: 1.89400 HG2 :: 1.45000 HG3 :: 1.17500(S) HE21 :: 7.08600 HE22 :: 7.14500 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.73000 NE2 :: 106.10000(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 C 0.03 C Shift Assignments>> C :: 175.00000 CA :: 61.20000 CG2 :: 17.50000 CD1 :: 12.60000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.70500 HA :: 3.98000 HB :: 1.80300 HG12 :: 1.47100 HG13 :: 0.97300 HG21 :: 0.88400 HG22 :: 0.88400 HG23 :: 0.88400 HD11 :: 0.78700 HD12 :: 0.78700 HD13 :: 0.78700 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.70000 Ave N Shift Values>> N :: 121.46(4.28) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.27 K 0.14 R 0.07 F 0.06 N 0.05 C 0.04 Y 0.04 C Shift Assignments>> C :: 177.05000 CA :: 53.90000 CB :: 42.00000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.20700 HA :: 4.51500 HB2 :: 1.65400 HB3 :: 1.56000 HG :: 1.47000 HD11 :: 0.65200 HD12 :: 0.65200 HD13 :: 0.65200 HD21 :: 0.77800 HD22 :: 0.77800 HD23 :: 0.77800 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.22000 Ave N Shift Values>> N :: 121.86(3.9) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.92000 CA :: 58.10000 CB :: 63.80000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.21800 HA :: 4.41600 HB2 :: 4.03400 HB3 :: 3.98000 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.61000 Ave N Shift Values>> N :: 116.28(3.52) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 F 0.18 Y 0.18 N 0.17 C 0.11 L 0.09 I 0.02 C Shift Assignments>> C :: 175.49001 CA :: 55.50000 CB :: 39.40000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.75000 HA :: 4.34900 HB2 :: 2.71000 HB3 :: 2.50900 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.05000 Ave N Shift Values>> N :: 120.65(3.86) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.18 L 0.16 F 0.11 Y 0.09 C 0.07 K 0.03 C Shift Assignments>> C :: 175.49001 CA :: 54.30000 CB :: 40.40000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.33600 HA :: 4.49000 HB2 :: 2.79800 HB3 :: 2.72200 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113.31000 Ave N Shift Values>> N :: 120.65(3.86) 1.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.13 G 0.06 C Shift Assignments>> C :: 174.46001 CA :: 55.80000 CB :: 32.20000 CG :: 27.50000 CD :: 43.30000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.34700 HA :: 4.51900 HB2 :: 1.82500 HB3 :: 1.65300 HG2 :: 1.65600 HG3 :: 1.56000 HD2 :: 3.23300 HD3 :: 3.17500 HE :: 7.23000 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.25000 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.44 R 0.1 C Shift Assignments>> C :: 175.24001 CA :: 53.90000 CB :: 35.80000 CG :: 25.60000 CD :: 28.90000 CE :: 41.40000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.42200 HA :: 5.20900 HB2 :: 1.66400 HB3 :: 1.54600 HG2 :: 1.29700 HD2 :: 1.54000 HD3 :: 1.47100 HE2 :: 2.94900 HE3 :: 2.84100 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.63000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.3 C 0.11 A 0.02 C Shift Assignments>> C :: 174.98000 CA :: 52.90000 CB :: 45.10000 CG :: 27.20000 CD1 :: 25.80000 CD2 :: 23.70000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.17400 HA :: 4.68600 HB2 :: 1.86600 HB3 :: 1.37300 HG :: 1.45300 HD11 :: 0.99200 HD12 :: 0.99200 HD13 :: 0.99200 HD21 :: 1.00100 HD22 :: 1.00100 HD23 :: 1.00100 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.33000 Ave N Shift Values>> N :: 121.86(3.9) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.42 R 0.07 C Shift Assignments>> C :: 175.75000 CA :: 56.50000 CB :: 32.20000 CG :: 25.20000 CD :: 28.90000 CE :: 41.40000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.91400 HA :: 4.45200 HB2 :: 1.77600 HB3 :: 1.70800 HG2 :: 1.32100 HG3 :: 1.22000 HD2 :: 1.70200 HD3 :: 1.58700 HE2 :: 2.99600 HE3 :: 2.96100 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.93000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.32 A 0.18 C Shift Assignments>> CA :: 55.10000 CG1 :: 31.30000 CG2 :: 17.10000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.71000 HA :: 4.52300 HB :: 2.38100 HG12 :: 1.96500 HG13 :: 1.34100 HG21 :: 0.99400 HG22 :: 0.99400 HG23 :: 0.99400 HD11 :: 0.84200 HD12 :: 0.84200 HD13 :: 0.84200 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 128.89000 Ave N Shift Values>> N :: 121.46(4.28) 1.P64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.28 C Shift Assignments>> C :: 176.53000 CA :: 63.20000 CB :: 32.20000 CD :: 51.20000 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.34800 HB2 :: 2.51100 HB3 :: 1.95900 HG2 :: 2.16300 HG3 :: 2.03900 HD2 :: 3.33400 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 I 0.15 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 176.27000 CA :: 59.10000 CB :: 29.60000 CG :: 36.50000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.67400 HA :: 4.00500 HB2 :: 2.12500 HB3 :: 2.06200 HG2 :: 2.44000 HG3 :: 2.38500 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.73000 Ave N Shift Values>> N :: 120.67(3.48) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 D 0.18 C 0.09 C Shift Assignments>> C :: 174.58000 CA :: 51.90000 CB :: 38.40000 CG :: 177.82001 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.37200 HA :: 4.90700 HB2 :: 2.90500 HD21 :: 6.91000 HD22 :: 7.61900 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.90000 ND2 :: 111.70000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 L 0.04 C 0.03 M 0.01 HN Overlap>> 1.D80 1.D80 C Shift Assignments>> CA :: 51.30000 CB :: 20.80000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.71100 HA :: 4.43800 HB1 :: 1.40300 HB2 :: 1.40300 HB3 :: 1.40300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.52000 Ave N Shift Values>> N :: 123.23(3.54) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.72 C 0.23 D 0.03 HN Overlap>> 1.S19 1.S75 1.S19 1.S75 C Shift Assignments>> C :: 175.24001 CA :: 53.40000 CB :: 37.90000 CG :: 175.24001 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.79500 HA :: 4.86200 HB2 :: 2.87500 HD21 :: 7.13200 HD22 :: 7.43400 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.16000 ND2 :: 112.10000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.58 V 0.4 C Shift Assignments>> C :: 174.72000 CA :: 67.40000 CG1 :: 20.90000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.54100 HA :: 3.32100 HB :: 1.87500 HG11 :: 0.73000 HG12 :: 0.73000 HG13 :: 0.73000 HG21 :: 0.80000 HG22 :: 0.80000 HG23 :: 0.80000 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.82000 Ave N Shift Values>> N :: 121.14(4.54) 1.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.25 F 0.21 C Shift Assignments>> C :: 176.00999 CA :: 60.70000 CB :: 39.90000 CE1 :: 132.80000 CE2 :: 132.80000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.61500 HA :: 3.83400 HB2 :: 2.86600 HB3 :: 2.56800 HD1 :: 6.40500 HE1 :: 6.98000 HZ :: 7.10200 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.20000 Ave N Shift Values>> N :: 120.45(4.18) 1.Y71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 176.27000 CA :: 58.60000 CB :: 38.80000 CD1 :: 132.80000 CD2 :: 132.80000 CE1 :: 118.00000 CE2 :: 118.00000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.54500 HA :: 4.51300 HB2 :: 3.33200 HB3 :: 2.88700 HD1 :: 7.23800 HE1 :: 7.03000 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 113.09000 Ave N Shift Values>> N :: 120.52(4.2) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.05 L 0.03 C 0.03 C Shift Assignments>> C :: 178.08000 CA :: 52.90000 CB :: 20.20000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.05500 HA :: 4.37800 HB1 :: 1.50300 HB2 :: 1.50300 HB3 :: 1.50300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.21000 Ave N Shift Values>> N :: 123.23(3.54) 1.M73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 M 0.11 D 0.1 H 0.09 Q 0.08 R 0.08 K 0.07 C 0.05 E 0.05 F 0.04 N 0.04 Y 0.04 A 0.03 S 0.01 C Shift Assignments>> C :: 173.67999 CA :: 55.50000 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.85700 HA :: 4.23400 HB2 :: 2.19800 HB3 :: 1.85900 HG2 :: 2.62100 HE1 :: 1.38000 HE2 :: 1.38000 HE3 :: 1.38000 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 114.80000 Ave N Shift Values>> N :: 120.09(3.57) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.81 C 0.1 D 0.08 C Shift Assignments>> CA :: 52.20000 CB :: 38.40000 CG :: 176.28000 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.62700 HA :: 4.76000 HB2 :: 2.71200 HB3 :: 2.54600 HD21 :: 7.00100 HD22 :: 7.29100 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.31000 ND2 :: 111.90000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S19 1.S19 1.N68 1.N68 C Shift Assignments>> C :: 175.22000 CA :: 59.60000 CB :: 62.70000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.74600 HA :: 4.41800 HB2 :: 4.04100 HB3 :: 3.91900 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.16000 Ave N Shift Values>> N :: 116.28(3.52) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.42000 CA :: 61.20000 CB :: 68.90000 CG2 :: 21.40000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.17500 HA :: 4.50700 HB :: 4.39000 HG21 :: 1.18200 HG22 :: 1.18200 HG23 :: 1.18200 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.12000 Ave N Shift Values>> N :: 115.42(4.75) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.02 C 0.01 C Shift Assignments>> C :: 175.49001 CA :: 50.80000 CB :: 19.80000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.48400 HA :: 4.44000 HB1 :: 1.39000 HB2 :: 1.39000 HB3 :: 1.39000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.15000 Ave N Shift Values>> N :: 123.23(3.54) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.74 D 0.13 C 0.12 C Shift Assignments>> C :: 175.75000 CA :: 52.90000 CB :: 38.40000 CG :: 176.78999 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.03900 HA :: 4.48700 HB2 :: 2.75300 HB3 :: 2.69600 HD21 :: 6.90900 HD22 :: 7.64400 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.59000 ND2 :: 113.20000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 Y 0.41 H 0.03 C Shift Assignments>> C :: 173.42000 CA :: 55.00000 CB :: 35.30000 CD1 :: 132.80000 CD2 :: 132.80000 CE1 :: 118.20000 CE2 :: 118.20000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.52600 HA :: 4.75300 HB2 :: 3.53700 HB3 :: 3.19200 HD1 :: 7.15600 HE1 :: 6.82900 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.35000 Ave N Shift Values>> N :: 120.52(4.2) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.26 R 0.13 K 0.1 F 0.04 C 0.04 N 0.04 Y 0.03 G 0.01 HN Overlap>> 1.A67 1.A67 C Shift Assignments>> C :: 174.46001 CA :: 53.40000 CB :: 42.50000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.78300 HA :: 5.50900 HB2 :: 2.63500 HB3 :: 2.48600 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.46000 Ave N Shift Values>> N :: 120.65(3.86) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 Y 0.33 C 0.13 F 0.1 C Shift Assignments>> C :: 174.98000 CA :: 55.50000 CB :: 44.10000 CD1 :: 132.80000 CD2 :: 132.80000 CE1 :: 132.80000 CE2 :: 132.80000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.49300 HA :: 5.70400 HB2 :: 3.06200 HB3 :: 2.89500 HD2 :: 7.17400 HE2 :: 6.96300 HZ :: 7.13900 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.64000 Ave N Shift Values>> N :: 120.45(4.18) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 V 0.19 I 0.02 M 0.02 C Shift Assignments>> C :: 173.67999 CA :: 59.10000 CB :: 35.80000 CG2 :: 20.90000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.76000 HA :: 5.17200 HB :: 1.84300 HG11 :: 0.86500 HG12 :: 0.86500 HG13 :: 0.86500 HG21 :: 0.87600 HG22 :: 0.87600 HG23 :: 0.87600 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.43000 Ave N Shift Values>> N :: 121.14(4.54) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 G 0.19 C 0.14 R 0.03 C Shift Assignments>> C :: 174.72000 CA :: 52.60000 CB :: 43.60000 CG :: 26.70000 CD1 :: 25.60000 CD2 :: 25.60000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.44300 HA :: 5.20000 HB2 :: 1.54600 HB3 :: 1.19000 HG :: 1.41300 HD11 :: 0.50400 HD12 :: 0.50400 HD13 :: 0.50400 HD21 :: 0.65100 HD22 :: 0.65100 HD23 :: 0.65100 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.33000 Ave N Shift Values>> N :: 121.86(3.9) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 K 0.3 A 0.03 R 0.01 C Shift Assignments>> C :: 174.46001 CA :: 53.90000 CB :: 36.80000 CG :: 24.20000 CD :: 28.50000 CE :: 41.40000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.03600 HA :: 4.80200 HB2 :: 1.77400 HB3 :: 1.52800 HG2 :: 1.42100 HD2 :: 1.63900 HE2 :: 2.99400 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.04000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.41 R 0.13 C Shift Assignments>> C :: 177.05000 CA :: 57.00000 CB :: 32.20000 CG :: 25.60000 CD :: 28.90000 CE :: 41.80000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.01600 HA :: 3.69800 HB2 :: 1.66700 HB3 :: 1.45600 HG2 :: 1.18200 HG3 :: 0.96600 HD2 :: 1.52900 HD3 :: 1.48300 HE2 :: 2.91800 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.12000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.4 K 0.06 G 0.06 C Shift Assignments>> C :: 175.75000 CA :: 57.00000 CB :: 30.60000 CG :: 27.50000 CD :: 43.40000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.58000 HA :: 4.10700 HB2 :: 1.74400 HB3 :: 1.54000 HG2 :: 1.49700 HG3 :: 1.36800 HD2 :: 3.17100 HE :: 6.89500 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.90000 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 62.60000 CB :: 70.90000 CG2 :: 21.80000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.76500 HA :: 4.12000 HB :: 4.21500 HG21 :: 1.11700 HG22 :: 1.11700 HG23 :: 1.11700 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.10000 Ave N Shift Values>> N :: 115.42(4.75) ########################################################################### Overall Results: #Consistent: 85 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 86 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 87 #Suspicious: 0 C Shift Results: #Consistent: 349 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 604 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 91 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.S8 N = 128.07001(S), Expected = 116.28, Std = 3.5200, ChiSquare = 8.0977e-04 1.Q53 HG3 = 1.17500(S), Expected = 2.29, Std = 0.2900, ChiSquare = 1.2064e-04 1.Q53 NE2 = 106.10000(S), Expected = 111.87, Std = 1.7200, ChiSquare = 7.9465e-04