Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.62 C 0.3 R 0.04 G 0.01 C Shift Assignments>> C :: 177.36 CA :: 55.69 CB :: 42.44 CG :: 27.00 CD1 :: 24.87 CD2 :: 23.83 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>> HA :: 4.31 HB2 :: 1.52 HB3 :: 1.58 HG :: 1.60 HD11 :: 0.86 HD12 :: 0.86 HD13 :: 0.86 HD21 :: 0.82 HD22 :: 0.82 HD23 :: 0.82 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) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.39 R 0.13 HN Overlap>> 1.I104 1.I104 C Shift Assignments>> C :: 177.38 CA :: 56.53 CB :: 32.70 CG :: 24.98 CD :: 29.14 CE :: 42.24 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 :: 8.43 HA :: 4.22 HB2 :: 1.68 HB3 :: 1.80 HG2 :: 1.36 HG3 :: 1.43 HD2 :: 1.61 HD3 :: 1.63 HE2 :: 2.95 HE3 :: 2.96 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 :: 121.92 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.25 CA :: 60.54 CB :: 62.84 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.44 HA :: 4.03 HB2 :: 3.59 HB3 :: 3.61 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 :: 118.06 Ave N Shift Values>> N :: 116.28(3.52) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 176.20 CA :: 64.48 CB :: 68.35 CG2 :: 21.84 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 :: 8.32 HA :: 3.03 HB :: 3.72 HG21 :: 0.50 HG22 :: 0.50 HG23 :: 0.50 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 :: 113.55 Ave N Shift Values>> N :: 115.42(4.75) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.43 C 0.02 I 0.02 C Shift Assignments>> C :: 180.66 CA :: 54.67 CB :: 18.35 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.44 HA :: 4.12 HB1 :: 1.38 HB2 :: 1.38 HB3 :: 1.38 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.24 Ave N Shift Values>> N :: 123.23(3.54) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.39 R 0.14 HN Overlap>> 1.N37 1.N37 C Shift Assignments>> C :: 179.24 CA :: 59.18 CB :: 31.93 CG :: 25.64 CD :: 29.40 CE :: 42.09 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 :: 7.64 HA :: 4.12 HB2 :: 1.93 HB3 :: 1.99 HG2 :: 1.41 HG3 :: 1.57 HD2 :: 1.73 HD3 :: 1.75 HE2 :: 3.01 HE3 :: 3.02 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 :: 118.54 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.48 C Shift Assignments>> C :: 177.21 CA :: 57.47 CB :: 29.82 CD1 :: 124.52 CE3 :: 119.61 CZ2 :: 114.83 CZ3 :: 120.56 CH2 :: 124.05 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.24 HA :: 4.46 HB2 :: 3.36 HB3 :: 3.63 HD1 :: 6.88 HE1 :: 10.90 HE3 :: 7.58 HZ2 :: 7.25 HZ3 :: 6.90 HH2 :: 6.79 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.75 NE1 :: 129.65 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 176.78 CA :: 52.25 CB :: 19.02 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.76 HA :: 4.23 HB1 :: 1.44 HB2 :: 1.44 HB3 :: 1.44 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.07 Ave N Shift Values>> N :: 123.23(3.54) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.24 C 0.03 L 0.01 C Shift Assignments>> C :: 178.63 CA :: 54.30 CB :: 19.17 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.62 HA :: 4.24 HB1 :: 1.55 HB2 :: 1.55 HB3 :: 1.55 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.54 Ave N Shift Values>> N :: 123.23(3.54) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.55 CA :: 58.03 CB :: 64.90 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.12 HA :: 4.49 HB2 :: 4.17 HB3 :: 4.19 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 :: 108.51 Ave N Shift Values>> N :: 116.28(3.52) 1.L12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.71 L 0.25 A 0.02 C Shift Assignments>> C :: 177.78 CA :: 57.01 CB :: 39.30 CG :: 25.89 CD1 :: 22.63 CD2 :: 26.39 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 :: 8.77 HA :: 3.19 HB2 :: -0.28(S) HB3 :: 0.85 HG :: 0.72 HD11 :: 0.04 HD12 :: 0.04 HD13 :: 0.04 HD21 :: -0.48(S) HD22 :: -0.48(S) HD23 :: -0.48(S) 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 :: 123.92 Ave N Shift Values>> N :: 121.86(3.9) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.31 E 0.05 C Shift Assignments>> C :: 178.63 CA :: 61.57 CB :: 28.33 CG :: 37.55 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 :: 9.77 HA :: 3.65 HB2 :: 1.87 HB3 :: 1.93 HG2 :: 2.15 HG3 :: 2.45 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 :: 118.37 Ave N Shift Values>> N :: 120.67(3.48) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.2 F 0.2 D 0.16 N 0.16 C 0.13 L 0.08 I 0.02 C Shift Assignments>> C :: 178.09 CA :: 55.72 CB :: 39.20 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 :: 7.69 HA :: 4.29 HB2 :: 2.69 HB3 :: 3.26 HD21 :: 7.49 HD22 :: 7.14 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 :: 116.40 ND2 :: 110.54 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.45 R 0.01 C Shift Assignments>> C :: 177.04 CA :: 59.26 CB :: 41.45 CG :: 27.24 CD1 :: 24.83 CD2 :: 25.22 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 :: 7.46 HA :: 3.83 HB2 :: 1.73 HB3 :: 1.83 HG :: 0.75 HD11 :: 0.29 HD12 :: 0.29 HD13 :: 0.29 HD21 :: -0.01 HD22 :: -0.01 HD23 :: -0.01 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 :: 121.83 Ave N Shift Values>> N :: 121.86(3.9) 1.L16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.53 C 0.37 A 0.08 C Shift Assignments>> C :: 177.41 CA :: 56.03 CB :: 40.55 CG :: 25.76 CD1 :: 23.88 CD2 :: 21.92 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 :: 7.70 HA :: 3.65 HB2 :: 1.11 HB3 :: 1.28 HG :: 1.29 HD11 :: -0.53(S) HD12 :: -0.53(S) HD13 :: -0.53(S) HD21 :: 0.36 HD22 :: 0.36 HD23 :: 0.36 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 :: 112.02 Ave N Shift Values>> N :: 121.86(3.9) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.11 Q 0.06 K 0.06 I 0.02 C Shift Assignments>> C :: 175.77 CA :: 56.36 CB :: 30.31 CG :: 36.21 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 :: 7.25 HA :: 4.23 HB2 :: 2.11 HB3 :: 2.13 HG2 :: 2.44 HG3 :: 2.47 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 :: 115.43 Ave N Shift Values>> N :: 120.67(3.48) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 D 0.06 R 0.04 C 0.03 C Shift Assignments>> C :: 174.51 CA :: 50.30 CB :: 43.76 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 :: 7.47 HA :: 5.22 HB2 :: 2.78 HB3 :: 3.16 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 :: 121.69 Ave N Shift Values>> N :: 120.65(3.86) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 179.97 CA :: 65.49 CB :: 32.42 CG :: 27.72 CD :: 50.96 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 :: 4.22 HB2 :: 2.10 HB3 :: 2.45 HG2 :: 2.12 HG3 :: 2.23 HD2 :: 4.06 HD3 :: 4.21 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.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.09 K 0.09 Q 0.06 M 0.02 HN Overlap>> 1.N106 1.K99 1.N106 1.K99 C Shift Assignments>> C :: 178.61 CA :: 58.57 CB :: 29.52 CG :: 36.05 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 :: 8.36 HA :: 4.17 HB2 :: 2.30 HB3 :: 2.35 HG2 :: 2.51 HG3 :: 2.54 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 :: 117.34 Ave N Shift Values>> N :: 120.67(3.48) 1.G21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 175.57 CA :: 46.26 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.66 HA2 :: 1.98(S) HA3 :: 2.61(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.12 Ave N Shift Values>> N :: 109.67(3.87) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 HN Overlap>> 1.D134 1.D134 C Shift Assignments>> C :: 177.70 CA :: 67.40 CB :: 31.71 CG1 :: 22.01 CG2 :: 25.05 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 :: 8.43 HA :: 3.18 HB :: 2.05 HG11 :: 0.88 HG12 :: 0.88 HG13 :: 0.88 HG21 :: 1.05 HG22 :: 1.05 HG23 :: 1.05 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 :: 122.08 Ave N Shift Values>> N :: 121.14(4.54) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.41 R 0.07 G 0.01 C Shift Assignments>> C :: 179.35 CA :: 60.45 CB :: 32.64 CG :: 25.04 CD :: 29.79 CE :: 42.14 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 :: 7.46 HA :: 3.83 HB2 :: 1.91 HB3 :: 1.94 HG2 :: 1.37 HG3 :: 1.59 HD2 :: 1.71 HD3 :: 1.72 HE2 :: 2.95 HE3 :: 2.96 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 :: 118.75 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.42 K 0.09 G 0.03 HN Overlap>> 1.D46 1.D46 C Shift Assignments>> C :: 178.13 CA :: 58.28 CB :: 30.07 CG :: 27.57 CD :: 42.92 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 :: 7.53 HA :: 4.25 HB2 :: 1.94 HB3 :: 2.01 HG2 :: 1.91 HG3 :: 2.00 HD2 :: 3.28 HD3 :: 3.31 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 :: 118.08 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.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 C 0.14 I 0.11 L 0.06 D 0.05 K 0.01 N 0.01 C Shift Assignments>> C :: 178.01 CA :: 58.16 CB :: 39.85 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 :: 8.70 HA :: 3.88 HB2 :: 2.39 HB3 :: 2.53 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 :: 121.41 Ave N Shift Values>> N :: 120.45(4.18) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 G 0.26 R 0.14 K 0.01 C Shift Assignments>> C :: 177.69 CA :: 61.08 CB :: 30.58 CG :: 28.87 CD :: 44.00 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 :: 9.03 HA :: 3.55 HB2 :: 1.94 HB3 :: 2.28 HG2 :: 1.39 HG3 :: 2.02 HD2 :: 2.94 HD3 :: 2.97 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 :: 117.81 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.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.32 I 0.2 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 178.84 CA :: 59.70 CB :: 29.32 CG :: 36.29 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 :: 7.46 HA :: 3.87 HB2 :: 2.20 HB3 :: 2.30 HG2 :: 2.28 HG3 :: 2.47 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 :: 118.18 Ave N Shift Values>> N :: 120.67(3.48) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 F 0.21 Y 0.19 C 0.15 HN Overlap>> 1.D52 1.D52 C Shift Assignments>> C :: 177.35 CA :: 61.73 CB :: 40.17 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 :: 7.82 HA :: 4.12 HB2 :: 3.42 HB3 :: 3.45 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 :: 120.40 Ave N Shift Values>> N :: 120.45(4.18) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.43 A 0.05 R 0.02 C Shift Assignments>> C :: 180.12 CA :: 56.86 CB :: 41.28 CG :: 26.31 CD1 :: 26.17 CD2 :: 21.62 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 :: 8.60 HA :: 3.63 HB2 :: 1.49 HB3 :: 1.50 HG :: 1.03 HD11 :: 0.12 HD12 :: 0.12 HD13 :: 0.12 HD21 :: 0.63 HD22 :: 0.63 HD23 :: 0.63 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 :: 118.77 Ave N Shift Values>> N :: 121.86(3.9) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.43 R 0.08 C Shift Assignments>> C :: 179.91 CA :: 59.84 CB :: 32.41 CG :: 25.04 CD :: 29.55 CE :: 42.16 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 :: 8.74 HA :: 3.90 HB2 :: 1.79 HB3 :: 1.81 HG2 :: 1.33 HG3 :: 1.47 HD2 :: 1.62 HD3 :: 1.63 HE2 :: 2.93 HE3 :: 2.94 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 :: 121.61 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.43 R 0.11 C Shift Assignments>> C :: 176.22 CA :: 58.32 CB :: 32.01 CG :: 25.02 CD :: 29.24 CE :: 42.14 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 :: 7.10 HA :: 3.81 HB2 :: 1.78 HB3 :: 1.83 HG2 :: 1.43 HG3 :: 1.60 HD2 :: 1.68 HD3 :: 1.70 HE2 :: 3.01 HE3 :: 3.02 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 :: 117.90 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 C 0.27 Q 0.17 K 0.13 M 0.09 C Shift Assignments>> C :: 175.04 CA :: 54.10 CB :: 29.77 CG :: 35.53 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 :: 6.92 HA :: 4.40 HB2 :: 1.81 HB3 :: 1.97 HG2 :: 1.82 HG3 :: 1.95 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 :: 112.69 Ave N Shift Values>> N :: 120.67(3.48) 1.F33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.26 Y 0.1 I 0.09 M 0.06 F 0.05 K 0.04 V 0.03 Q 0.02 C Shift Assignments>> C :: 176.06 CA :: 58.90 CB :: 35.99 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 :: 7.41 HA :: 4.44 HB2 :: 3.22 HB3 :: 3.40 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 :: 117.18 Ave N Shift Values>> N :: 120.45(4.18) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.40 CA :: 57.33 CB :: 65.14 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.06 HA :: 5.08 HB2 :: 3.72 HB3 :: 3.97 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 :: 112.47 Ave N Shift Values>> N :: 116.28(3.52) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.37 I 0.1 M 0.04 K 0.02 Q 0.01 C Shift Assignments>> C :: 177.19 CA :: 59.19 CB :: 30.46 CG :: 36.66 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 :: 8.57 HA :: 3.59 HB2 :: 1.63 HB3 :: 2.05 HG2 :: 2.16 HG3 :: 2.31 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 :: 124.23 Ave N Shift Values>> N :: 120.67(3.48) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 I 0.25 E 0.19 K 0.07 Q 0.05 R 0.01 C Shift Assignments>> C :: 176.47 CA :: 60.12 CB :: 28.05 CG :: 35.68 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 :: 10.02 HA :: 4.05 HB2 :: 2.09 HB3 :: 2.21 HG2 :: 2.34 HG3 :: 2.38 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 :: 117.13 Ave N Shift Values>> N :: 120.67(3.48) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.2 F 0.2 E 0.08 N 0.08 I 0.06 D 0.04 M 0.02 L 0.02 HN Overlap>> 1.K7 1.K7 C Shift Assignments>> C :: 176.60 CA :: 56.65 CB :: 38.07 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 :: 7.66 HA :: 4.49 HB2 :: 2.72 HB3 :: 2.77 HD21 :: 7.37 HD22 :: 7.07 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 :: 118.58 ND2 :: 108.79 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 176.43 CA :: 63.88 CB :: 31.92 CG1 :: 21.59 CG2 :: 24.76 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 :: 6.80 HA :: 4.11 HB :: 1.87 HG11 :: 0.97 HG12 :: 0.97 HG13 :: 0.97 HG21 :: 1.00 HG22 :: 1.00 HG23 :: 1.00 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 :: 116.84 Ave N Shift Values>> N :: 121.14(4.54) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 L 0.34 A 0.02 HN Overlap>> 1.Q98 1.Q98 C Shift Assignments>> C :: 179.60 CA :: 58.10 CB :: 40.77 CG :: 26.95 CD1 :: 24.95 CD2 :: 20.89 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 :: 7.66 HA :: 4.11 HB2 :: 1.72 HB3 :: 1.98 HG :: 1.69 HD11 :: 0.88 HD12 :: 0.88 HD13 :: 0.88 HD21 :: 0.79 HD22 :: 0.79 HD23 :: 0.79 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 :: 122.06 Ave N Shift Values>> N :: 121.86(3.9) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.3 Y 0.25 F 0.24 C 0.16 C Shift Assignments>> C :: 176.30 CA :: 60.26 CB :: 39.32 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 :: 8.54 HA :: 3.05 HB2 :: 2.41 HB3 :: 2.78 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 :: 121.29 Ave N Shift Values>> N :: 120.45(4.18) 1.W41 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 W 0.28 C Shift Assignments>> C :: 177.79 CA :: 64.93 CB :: 29.64 CD1 :: 125.10 CE3 :: 120.02 CZ2 :: 115.08 CZ3 :: 123.51 CH2 :: 125.65 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.72 HA :: 3.33 HB2 :: 3.24 HB3 :: 3.59 HD1 :: 7.33 HE1 :: 10.67 HE3 :: 7.21 HZ2 :: 7.17 HZ3 :: 7.07 HH2 :: 7.05 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.00 NE1 :: 130.75 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (HA > HB3 : 0.9964) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 L 0.37 R 0.18 G 0.01 C Shift Assignments>> C :: 179.36 CA :: 57.90 CB :: 42.23 CG :: 27.46 CD1 :: 26.51 CD2 :: 22.65 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 :: 8.74 HA :: 3.81 HB2 :: 1.59 HB3 :: 1.91 HG :: 2.21 HD11 :: 0.96 HD12 :: 0.96 HD13 :: 0.96 HD21 :: 1.19 HD22 :: 1.19 HD23 :: 1.19 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 :: 116.96 Ave N Shift Values>> N :: 121.86(3.9) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.4 I 0.03 C 0.02 C Shift Assignments>> C :: 180.91 CA :: 55.01 CB :: 18.03 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.91 HA :: 4.17 HB1 :: 1.38 HB2 :: 1.38 HB3 :: 1.38 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.72 Ave N Shift Values>> N :: 123.23(3.54) 1.C44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.42 I 0.39 C 0.14 V 0.01 C Shift Assignments>> C :: 176.87 CA :: 64.12 CB :: 25.67 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.60 HA :: 3.56 HB2 :: 2.15 HB3 :: 2.35 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 :: 116.84 Ave N Shift Values>> N :: 120.17(4.64) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.24 K 0.23 E 0.13 R 0.03 I 0.03 M 0.01 C Shift Assignments>> C :: 178.28 CA :: 58.26 CB :: 28.56 CG :: 34.43 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 :: 7.52 HA :: 3.75 HB2 :: 1.56 HB3 :: 1.59 HG2 :: 1.67 HG3 :: 1.71 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 :: 122.58 Ave N Shift Values>> N :: 120.67(3.48) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 L 0.16 D 0.14 K 0.12 C 0.09 I 0.03 N 0.02 HN Overlap>> 1.R24 1.R24 C Shift Assignments>> C :: 179.08 CA :: 56.95 CB :: 40.85 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 :: 7.52 HA :: 4.30 HB2 :: 2.60 HB3 :: 2.69 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 :: 118.08 Ave N Shift Values>> N :: 120.65(3.86) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 F 0.21 Y 0.2 C 0.15 C Shift Assignments>> C :: 176.57 CA :: 61.49 CB :: 40.04 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 :: 8.09 HA :: 4.02 HB2 :: 3.13 HB3 :: 3.15 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 :: 121.40 Ave N Shift Values>> N :: 120.45(4.18) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.43 R 0.09 C Shift Assignments>> C :: 177.10 CA :: 58.43 CB :: 32.32 CG :: 24.85 CD :: 29.58 CE :: 42.23 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 :: 7.38 HA :: 4.14 HB2 :: 1.79 HB3 :: 1.85 HG2 :: 1.44 HG3 :: 1.72 HD2 :: 1.57 HD3 :: 1.70 HE2 :: 2.81 HE3 :: 2.82 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 :: 114.19 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.36 R 0.17 G 0.01 C Shift Assignments>> C :: 177.12 CA :: 55.99 CB :: 33.09 CG :: 25.22 CD :: 29.35 CE :: 42.33 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 :: 7.08 HA :: 4.23 HB2 :: 1.73 HB3 :: 1.98 HG2 :: 1.38 HG3 :: 1.51 HD2 :: 1.61 HD3 :: 1.62 HE2 :: 2.96 HE3 :: 2.97 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 :: 116.72 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.42 A 0.04 C Shift Assignments>> C :: 175.68 CA :: 57.47 CB :: 33.62 CG :: 33.20 CE :: 18.14 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 :: 7.45 HA :: 4.04 HB2 :: 1.73 HB3 :: 1.82 HG2 :: 2.34 HG3 :: 2.76 HE1 :: 1.98 HE2 :: 1.98 HE3 :: 1.98 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 :: 119.78 Ave N Shift Values>> N :: 120.09(3.57) 1.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 C 0.27 Q 0.25 E 0.09 K 0.06 C Shift Assignments>> C :: 175.54 CA :: 56.19 CB :: 31.21 CG :: 34.00 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 :: 8.39 HA :: 4.35 HB2 :: 1.85 HB3 :: 2.15 HG2 :: 2.27 HG3 :: 2.34 HE21 :: 7.42 HE22 :: 6.77 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 :: 118.24 NE2 :: 112.52 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.22 R 0.19 K 0.08 F 0.04 C 0.04 G 0.02 Y 0.02 N 0.02 HN Overlap>> 1.F28 1.F28 C Shift Assignments>> C :: 176.20 CA :: 53.64 CB :: 42.81 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 :: 7.79 HA :: 4.68 HB2 :: 2.62 HB3 :: 2.76 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 :: 120.30 Ave N Shift Values>> N :: 120.65(3.86) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.43 R 0.07 G 0.01 C Shift Assignments>> C :: 178.26 CA :: 60.16 CB :: 32.49 CG :: 25.15 CD :: 29.21 CE :: 42.22 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 :: 8.88 HA :: 3.93 HB2 :: 1.89 HB3 :: 1.93 HG2 :: 1.41 HG3 :: 1.53 HD2 :: 1.71 HD3 :: 1.72 HE2 :: 3.02 HE3 :: 3.03 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 :: 126.92 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.90 CA :: 66.45 CB :: 68.23 CG2 :: 21.95 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 :: 8.19 HA :: 4.11 HB :: 4.32 HG21 :: 1.28 HG22 :: 1.28 HG23 :: 1.28 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 :: 116.21 Ave N Shift Values>> N :: 115.42(4.75) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.25 K 0.24 E 0.11 R 0.03 I 0.02 M 0.01 C Shift Assignments>> C :: 178.92 CA :: 58.43 CB :: 28.90 CG :: 34.19 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 :: 8.27 HA :: 4.19 HB2 :: 2.02 HB3 :: 2.27 HG2 :: 2.44 HG3 :: 2.53 HE21 :: 7.56 HE22 :: 6.85 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 :: 121.54 NE2 :: 111.96 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 M 0.33 HN Overlap>> 1.S70 1.Q57 1.S70 1.Q57 C Shift Assignments>> C :: 177.94 CA :: 60.04 CB :: 34.18 CG :: 32.60 CE :: 16.42 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 :: 8.49 HA :: 4.03 HB2 :: 2.04 HB3 :: 2.13 HG2 :: 2.05 HG3 :: 2.39 HE1 :: 1.74 HE2 :: 1.74 HE3 :: 1.74 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 :: 119.26 Ave N Shift Values>> N :: 120.09(3.57) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.18 Q 0.17 E 0.1 I 0.08 R 0.02 HN Overlap>> 1.M56 1.M56 C Shift Assignments>> C :: 178.54 CA :: 60.11 CB :: 28.60 CG :: 34.43 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 :: 8.48 HA :: 3.98 HB2 :: 2.23 HB3 :: 2.40 HG2 :: 2.38 HG3 :: 2.62 HE21 :: 7.60 HE22 :: 6.95 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 :: 119.33 NE2 :: 111.34 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 I 0.14 K 0.07 Q 0.04 M 0.02 C Shift Assignments>> C :: 179.61 CA :: 59.33 CB :: 29.54 CG :: 36.11 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 :: 7.95 HA :: 4.11 HB2 :: 2.14 HB3 :: 2.17 HG2 :: 2.38 HG3 :: 2.48 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 :: 118.51 Ave N Shift Values>> N :: 120.67(3.48) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.34 R 0.28 C Shift Assignments>> C :: 178.24 CA :: 57.26 CB :: 31.50 CG :: 24.91 CD :: 27.85 CE :: 42.10 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 :: 8.58 HA :: 4.37 HB2 :: 2.11 HB3 :: 2.27 HG2 :: 1.72 HG3 :: 1.74 HD2 :: 1.82 HD3 :: 1.95 HE2 :: 2.91 HE3 :: 3.01 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 :: 120.71 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.3 I 0.05 C 0.03 C Shift Assignments>> C :: 179.54 CA :: 55.61 CB :: 18.06 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.13 HA :: 3.99 HB1 :: 1.65 HB2 :: 1.65 HB3 :: 1.65 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.25 Ave N Shift Values>> N :: 123.23(3.54) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.35 R 0.15 G 0.01 C Shift Assignments>> C :: 178.04 CA :: 60.31 CB :: 32.11 CG :: 25.79 CD :: 29.62 CE :: 42.21 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 :: 7.68 HA :: 4.05 HB2 :: 2.04 HB3 :: 2.06 HG2 :: 1.49 HG3 :: 1.62 HD2 :: 1.73 HD3 :: 1.75 HE2 :: 2.94 HE3 :: 2.97 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 :: 116.93 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.34 I 0.13 K 0.04 Q 0.03 M 0.03 C Shift Assignments>> C :: 180.01 CA :: 59.83 CB :: 30.06 CG :: 36.14 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 :: 7.96 HA :: 4.08 HB2 :: 2.26 HB3 :: 2.32 HG2 :: 2.05 HG3 :: 2.36 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 :: 120.54 Ave N Shift Values>> N :: 120.67(3.48) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 178.35 CA :: 66.27 CB :: 37.90 CG1 :: 30.67 CG2 :: 17.20 CD1 :: 13.89 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 :: 8.85 HA :: 3.72 HB :: 1.63 HG12 :: 0.76 HG13 :: 1.92 HG21 :: 0.28 HG22 :: 0.28 HG23 :: 0.28 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 :: 122.55 Ave N Shift Values>> N :: 121.46(4.28) 1.Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.75 C 0.24 HN Overlap>> 1.K109 1.K109 C Shift Assignments>> C :: 178.06 CA :: 62.43 CB :: 40.07 CD1 :: 133.22 CD2 :: 133.22 CE1 :: 118.09 CE2 :: 118.09 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 :: 8.68 HA :: 4.04 HB2 :: 3.14 HB3 :: 3.31 HD1 :: 6.98 HD2 :: 6.98 HE1 :: 6.76 HE2 :: 6.76 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 :: 120.55 Ave N Shift Values>> N :: 120.52(4.2) 1.M65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.46 A 0.01 C Shift Assignments>> C :: 177.95 CA :: 57.57 CB :: 31.46 CG :: 32.54 CE :: 16.52 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 :: 9.10 HA :: 4.19 HB2 :: 2.08 HB3 :: 2.24 HG2 :: 2.84 HG3 :: 2.86 HE1 :: 2.11 HE2 :: 2.11 HE3 :: 2.11 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 :: 116.88 Ave N Shift Values>> N :: 120.09(3.57) 1.T66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 174.34 CA :: 66.09 CB :: 69.49 CG2 :: 20.13 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 :: 8.07 HA :: 3.82 HB :: 3.56 HG21 :: 0.17(S) HG22 :: 0.17(S) HG23 :: 0.17(S) 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 :: 114.11 Ave N Shift Values>> N :: 115.42(4.75) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 R 0.19 F 0.18 Y 0.12 L 0.12 C 0.09 I 0.03 D 0.02 G 0.01 C Shift Assignments>> C :: 175.68 CA :: 58.87 CB :: 42.49 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 :: 7.86 HA :: 4.89 HB2 :: 2.66 HB3 :: 2.89 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 :: 113.83 Ave N Shift Values>> N :: 120.45(4.18) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.23 G 0.16 R 0.1 A 0.06 C Shift Assignments>> C :: 176.73 CA :: 55.06 CB :: 43.88 CG :: 26.69 CD1 :: 26.49 CD2 :: 22.47 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 :: 7.57 HA :: 4.59 HB2 :: 1.36 HB3 :: 1.62 HG :: 1.45 HD11 :: 0.99 HD12 :: 0.99 HD13 :: 0.99 HD21 :: 0.50 HD22 :: 0.50 HD23 :: 0.50 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 :: 115.92 Ave N Shift Values>> N :: 121.86(3.9) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.01 CA :: 57.92 CB :: 63.89 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.44 HA :: 4.02 HB2 :: 3.43 HB3 :: 3.86 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 :: 114.35 Ave N Shift Values>> N :: 116.28(3.52) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.M56 1.M56 C Shift Assignments>> C :: 175.32 CA :: 60.58 CB :: 62.98 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.57 HA :: 4.19 HB2 :: 3.94 HB3 :: 3.99 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 :: 119.23 Ave N Shift Values>> N :: 116.28(3.52) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.33 R 0.17 HN Overlap>> 1.Q103 1.Q103 C Shift Assignments>> C :: 176.28 CA :: 55.47 CB :: 32.03 CG :: 24.82 CD :: 28.87 CE :: 42.05 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 :: 8.03 HA :: 4.34 HB2 :: 1.60 HB3 :: 1.94 HG2 :: 1.34 HG3 :: 1.40 HD2 :: 1.61 HD3 :: 1.63 HE2 :: 2.95 HE3 :: 2.97 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 :: 120.29 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> C :: 178.52 CA :: 52.64 CB :: 19.04 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.43 HA :: 4.16 HB1 :: 1.14 HB2 :: 1.14 HB3 :: 1.14 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.65 Ave N Shift Values>> N :: 123.23(3.54) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.56 CA :: 60.13 CB :: 63.01 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.34 HA :: 4.23 HB2 :: 3.83 HB3 :: 3.88 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 :: 116.75 Ave N Shift Values>> N :: 116.28(3.52) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.10 CA :: 56.28 CB :: 63.91 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.92 HA :: 4.63 HB2 :: 3.63 HB3 :: 3.84 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 :: 118.10 Ave N Shift Values>> N :: 116.28(3.52) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.24 K 0.23 E 0.1 M 0.09 R 0.01 C Shift Assignments>> C :: 176.87 CA :: 56.38 CB :: 29.78 CG :: 34.01 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 :: 7.51 HA :: 4.02 HB2 :: 1.86 HB3 :: 1.94 HG2 :: 2.11 HG3 :: 2.26 HE21 :: 7.26 HE22 :: 6.66 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 :: 118.92 NE2 :: 111.58 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 175.27 CA :: 60.77 CB :: 33.02 CG1 :: 21.83 CG2 :: 19.41 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 :: 8.22 HA :: 4.35 HB :: 1.83 HG11 :: 0.72 HG12 :: 0.72 HG13 :: 0.72 HG21 :: 0.45 HG22 :: 0.45 HG23 :: 0.45 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 :: 120.64 Ave N Shift Values>> N :: 121.14(4.54) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.17 C 0.09 F 0.06 Y 0.06 L 0.04 C Shift Assignments>> C :: 174.40 CA :: 52.97 CB :: 38.78 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 :: 8.76 HA :: 4.80 HB2 :: 2.64 HB3 :: 2.83 HD21 :: 7.51 HD22 :: 6.86 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 :: 122.64 ND2 :: 112.07 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 HN Overlap>> 1.H93 1.H93 C Shift Assignments>> C :: 175.67 CA :: 60.33 CB :: 33.50 CG1 :: 22.09 CG2 :: 19.81 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 :: 7.84 HA :: 4.33 HB :: 2.11 HG11 :: 0.80 HG12 :: 0.80 HG13 :: 0.80 HG21 :: 0.77 HG22 :: 0.77 HG23 :: 0.77 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 :: 118.18 Ave N Shift Values>> N :: 121.14(4.54) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.34 K 0.08 Q 0.06 M 0.06 I 0.05 C Shift Assignments>> C :: 177.57 CA :: 57.40 CB :: 29.92 CG :: 36.20 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 :: 8.66 HA :: 4.18 HB2 :: 2.01 HB3 :: 2.04 HG2 :: 2.27 HG3 :: 2.30 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 :: 124.37 Ave N Shift Values>> N :: 120.67(3.48) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 175.37 CA :: 45.96 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.74 HA2 :: 3.82 HA3 :: 4.09 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.80 Ave N Shift Values>> N :: 109.67(3.87) 1.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.28 C 0.26 E 0.06 M 0.04 R 0.04 C Shift Assignments>> C :: 176.60 CA :: 56.87 CB :: 29.08 CG :: 33.70 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 :: 8.25 HA :: 4.25 HB2 :: 2.09 HB3 :: 2.21 HG2 :: 2.37 HG3 :: 2.39 HE21 :: 7.53 HE22 :: 6.82 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 :: 119.93 NE2 :: 111.54 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.57 CA :: 59.21 CB :: 63.47 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.38 HA :: 4.41 HB2 :: 3.92 HB3 :: 3.95 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 :: 115.73 Ave N Shift Values>> N :: 116.28(3.52) 1.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.37 K 0.07 G 0.06 C Shift Assignments>> C :: 176.42 CA :: 56.27 CB :: 30.47 CG :: 27.51 CD :: 43.35 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 :: 8.02 HA :: 4.33 HB2 :: 1.78 HB3 :: 1.95 HG2 :: 1.63 HG3 :: 1.70 HD2 :: 3.22 HD3 :: 3.24 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 :: 121.23 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.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.25 R 0.14 G 0.02 C Shift Assignments>> C :: 175.87 CA :: 55.19 CB :: 42.70 CG :: 27.27 CD1 :: 25.91 CD2 :: 24.34 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 :: 8.15 HA :: 4.33 HB2 :: 1.56 HB3 :: 1.81 HG :: 1.77 HD11 :: 0.96 HD12 :: 0.96 HD13 :: 0.96 HD21 :: 0.90 HD22 :: 0.90 HD23 :: 0.90 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 :: 122.24 Ave N Shift Values>> N :: 121.86(3.9) 1.N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.26 L 0.08 C 0.07 F 0.06 Y 0.05 C Shift Assignments>> C :: 175.04 CA :: 52.83 CB :: 39.58 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 :: 7.95 HA :: 4.68 HB2 :: 2.93 HB3 :: 2.96 HD21 :: 7.66 HD22 :: 6.90 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 :: 119.52 ND2 :: 113.25 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.31 I 0.23 K 0.04 Q 0.01 HN Overlap>> 1.D102 1.D102 C Shift Assignments>> C :: 178.09 CA :: 59.29 CB :: 29.13 CG :: 36.78 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 :: 8.87 HA :: 3.51 HB2 :: 1.93 HB3 :: 1.98 HG2 :: 2.17 HG3 :: 2.20 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 :: 119.88 Ave N Shift Values>> N :: 120.67(3.48) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.4 R 0.16 C Shift Assignments>> C :: 179.15 CA :: 58.49 CB :: 31.63 CG :: 24.87 CD :: 28.60 CE :: 41.94 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 :: 8.27 HA :: 4.04 HB2 :: 1.80 HB3 :: 1.82 HG2 :: 1.42 HG3 :: 1.45 HD2 :: 1.63 HD3 :: 1.65 HE2 :: 2.95 HE3 :: 2.96 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 :: 120.96 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 HN Overlap>> 1.S119 1.D111 1.S119 1.D111 C Shift Assignments>> C :: 176.57 CA :: 63.36 CB :: 37.91 CG1 :: 27.44 CG2 :: 17.50 CD1 :: 14.00 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 :: 7.70 HA :: 3.97 HB :: 1.91 HG12 :: 1.34 HG13 :: 1.36 HG21 :: 0.94 HG22 :: 0.94 HG23 :: 0.94 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 :: 117.29 Ave N Shift Values>> N :: 121.46(4.28) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.31 A 0.06 C Shift Assignments>> C :: 177.23 CA :: 55.75 CB :: 41.15 CG :: 26.65 CD1 :: 25.20 CD2 :: 22.15 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 :: 7.28 HA :: 3.78 HB2 :: 1.44 HB3 :: 1.70 HG :: 1.38 HD11 :: 0.62 HD12 :: 0.62 HD13 :: 0.62 HD21 :: 0.65 HD22 :: 0.65 HD23 :: 0.65 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 :: 117.21 Ave N Shift Values>> N :: 121.86(3.9) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.38 I 0.07 K 0.05 M 0.05 Q 0.02 C Shift Assignments>> C :: 176.72 CA :: 57.72 CB :: 30.02 CG :: 36.60 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 :: 7.36 HA :: 4.09 HB2 :: 2.02 HB3 :: 2.14 HG2 :: 2.27 HG3 :: 2.40 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 :: 115.39 Ave N Shift Values>> N :: 120.67(3.48) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 M 0.14 Q 0.09 K 0.07 C Shift Assignments>> C :: 172.54 CA :: 53.35 CB :: 30.12 CG :: 35.98 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 :: 7.42 HA :: 4.74 HB2 :: 1.85 HB3 :: 2.07 HG2 :: 2.18 HG3 :: 2.20 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 :: 117.49 Ave N Shift Values>> N :: 120.67(3.48) 1.P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 175.35 CA :: 63.29 CB :: 33.28 CG :: 27.52 CD :: 50.10 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 :: 4.61 HB2 :: 1.92 HB3 :: 2.06 HG2 :: 1.86 HG3 :: 1.99 HD2 :: 3.56 HD3 :: 3.59 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.H93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 W 0.33 C 0.26 HN Overlap>> 1.V78 1.V78 C Shift Assignments>> C :: 174.15 CA :: 54.97 CB :: 31.76 CD2 :: 120.02 CE1 :: 138.23 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 :: 7.86 HA :: 4.91 HB2 :: 3.13 HB3 :: 3.23 HD2 :: 7.10 HE1 :: 7.96 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 :: 118.28 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.32 CA :: 65.85 CB :: 32.78 CG :: 27.71 CD :: 51.11 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 :: 4.19 HB2 :: 1.90 HB3 :: 2.46 HG2 :: 1.90 HG3 :: 2.02 HD2 :: 3.42 HD3 :: 3.71 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.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.22 A 0.11 R 0.01 C Shift Assignments>> C :: 180.34 CA :: 53.86 CB :: 41.19 CG :: 27.35 CD1 :: 25.24 CD2 :: 22.54 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 :: 8.24 HA :: 4.90 HB2 :: 1.84 HB3 :: 1.99 HG :: 1.75 HD11 :: 1.00 HD12 :: 1.00 HD13 :: 1.00 HD21 :: 0.92 HD22 :: 0.92 HD23 :: 0.92 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 :: 113.35 Ave N Shift Values>> N :: 121.86(3.9) 1.M96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.86 M 0.11 I 0.02 HN Overlap>> 1.L100 1.L100 C Shift Assignments>> C :: 175.68 CA :: 59.16 CB :: 32.72 CG :: 29.19 CE :: 16.42 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 :: 7.58 HA :: 3.80 HB2 :: 1.87 HB3 :: 1.93 HG2 :: 0.35(S) HG3 :: 2.07 HE1 :: 1.52 HE2 :: 1.52 HE3 :: 1.52 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 :: 119.68 Ave N Shift Values>> N :: 120.09(3.57) 1.F97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.48 Y 0.28 C 0.22 C Shift Assignments>> C :: 176.14 CA :: 57.66 CB :: 40.12 CE1 :: 130.61 CE2 :: 130.61 CZ :: 128.16 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 :: 9.19 HA :: 4.91 HB2 :: 2.60 HB3 :: 3.54 HD1 :: 6.78 HD2 :: 6.78 HE1 :: 6.40 HE2 :: 6.40 HZ :: 7.06 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 :: 118.25 Ave N Shift Values>> N :: 120.45(4.18) 1.Q98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.23 Q 0.21 E 0.04 M 0.03 I 0.02 R 0.01 HN Overlap>> 1.L39 1.L39 C Shift Assignments>> C :: 176.84 CA :: 59.98 CB :: 29.62 CG :: 33.55 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 :: 7.65 HA :: 3.92 HB2 :: 2.14 HB3 :: 2.18 HG2 :: 2.36 HG3 :: 2.40 HE21 :: 7.76 HE22 :: 6.73 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 :: 122.11 NE2 :: 116.02 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.4 R 0.12 G 0.01 HN Overlap>> 1.E20 1.E20 C Shift Assignments>> C :: 180.26 CA :: 59.64 CB :: 31.71 CG :: 25.34 CD :: 29.07 CE :: 42.27 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 :: 8.44 HA :: 4.28 HB2 :: 1.90 HB3 :: 1.92 HG2 :: 1.51 HG3 :: 1.62 HD2 :: 1.74 HD3 :: 1.76 HE2 :: 3.03 HE3 :: 3.05 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 :: 117.29 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.36 R 0.21 G 0.02 HN Overlap>> 1.M96 1.M96 C Shift Assignments>> C :: 178.67 CA :: 57.79 CB :: 42.63 CG :: 27.44 CD1 :: 26.56 CD2 :: 23.91 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 :: 7.60 HA :: 4.28 HB2 :: 1.67 HB3 :: 2.16 HG :: 1.93 HD11 :: 1.13 HD12 :: 1.13 HD13 :: 1.13 HD21 :: 0.88 HD22 :: 0.88 HD23 :: 0.88 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 :: 119.63 Ave N Shift Values>> N :: 121.86(3.9) 1.Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 I 0.2 E 0.11 Q 0.09 K 0.08 R 0.02 C Shift Assignments>> C :: 178.66 CA :: 60.37 CB :: 27.64 CG :: 35.05 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 :: 9.14 HA :: 3.82 HB2 :: 1.75 HB3 :: 2.28 HG2 :: 2.37 HG3 :: 2.41 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 :: 121.42 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.12 L 0.1 D 0.1 I 0.06 K 0.03 N 0.02 HN Overlap>> 1.E86 1.E86 C Shift Assignments>> C :: 179.00 CA :: 57.49 CB :: 40.24 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 :: 8.81 HA :: 4.63 HB2 :: 2.78 HB3 :: 2.91 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 :: 119.81 Ave N Shift Values>> N :: 120.65(3.86) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.21 Q 0.2 E 0.12 I 0.05 R 0.02 M 0.01 HN Overlap>> 1.K71 1.K71 C Shift Assignments>> C :: 179.70 CA :: 59.52 CB :: 28.86 CG :: 34.40 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 :: 7.93 HA :: 4.32 HB2 :: 2.31 HB3 :: 2.48 HG2 :: 2.48 HG3 :: 2.74 HE21 :: 7.38 HE22 :: 7.01 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 :: 120.27 NE2 :: 110.17 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 I 0.37 HN Overlap>> 1.K3 1.K3 C Shift Assignments>> C :: 177.53 CA :: 62.06 CB :: 37.08 CG1 :: 29.66 CG2 :: 19.84 CD1 :: 11.45 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 :: 8.45 HA :: 4.20 HB :: 2.38 HG12 :: 1.55 HG13 :: 1.87 HG21 :: 1.43 HG22 :: 1.43 HG23 :: 1.43 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 :: 121.89 Ave N Shift Values>> N :: 121.46(4.28) 1.F105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.14 F 0.12 Y 0.12 C Shift Assignments>> C :: 176.74 CA :: 62.90 CB :: 39.44 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 :: 9.13 HA :: 3.75 HB2 :: 3.47 HB3 :: 3.51 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 :: 123.86 Ave N Shift Values>> N :: 120.45(4.18) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.22 C 0.17 N 0.1 D 0.08 I 0.05 L 0.04 E 0.03 M 0.01 HN Overlap>> 1.E20 1.E20 C Shift Assignments>> C :: 177.01 CA :: 56.43 CB :: 38.62 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 :: 8.27 HA :: 4.40 HB2 :: 2.99 HB3 :: 3.01 HD21 :: 7.64 HD22 :: 7.09 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 :: 117.29 ND2 :: 112.36 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.4 R 0.06 G 0.01 C Shift Assignments>> C :: 180.81 CA :: 58.07 CB :: 42.28 CG :: 27.17 CD1 :: 24.57 CD2 :: 25.29 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 :: 8.06 HA :: 4.29 HB2 :: 1.92 HB3 :: 2.03 HG :: 1.81 HD11 :: 1.07 HD12 :: 1.07 HD13 :: 1.07 HD21 :: 1.03 HD22 :: 1.03 HD23 :: 1.03 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 :: 121.02 Ave N Shift Values>> N :: 121.86(3.9) 1.M108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 M 0.36 C 0.03 HN Overlap>> 1.S112 1.S112 C Shift Assignments>> C :: 178.02 CA :: 59.49 CE :: 16.15 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 :: 8.03 HA :: 4.35 HE1 :: 1.78 HE2 :: 1.78 HE3 :: 1.78 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 :: 116.94 Ave N Shift Values>> N :: 120.09(3.57) 1.K109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.63 K 0.32 R 0.03 G 0.01 HN Overlap>> 1.Y64 1.Y64 C Shift Assignments>> C :: 177.12 CA :: 60.48 CB :: 32.97 CG :: 24.32 CD :: 30.54 CE :: 42.10 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 :: 8.60 HA :: 3.36 HB2 :: 1.07 HB3 :: 1.39 HG2 :: 0.30(S) HG3 :: 0.90 HD2 :: 1.36 HD3 :: 1.48 HE2 :: 2.78 HE3 :: 2.82 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 :: 120.49 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 175.53 CA :: 58.92 CB :: 38.06 CD1 :: 133.52 CD2 :: 133.52 CE1 :: 118.00 CE2 :: 118.00 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 :: 7.47 HA :: 4.64 HB2 :: 2.94 HB3 :: 3.41 HD1 :: 7.38 HD2 :: 7.38 HE1 :: 6.89 HE2 :: 6.89 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 :: 111.31 Ave N Shift Values>> N :: 120.52(4.2) 1.D111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.18 R 0.18 D 0.14 F 0.09 Y 0.06 C 0.05 N 0.01 HN Overlap>> 1.I88 1.S119 1.I88 1.S119 C Shift Assignments>> C :: 175.41 CA :: 55.82 CB :: 42.47 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 :: 7.64 HA :: 5.14 HB2 :: 3.01 HB3 :: 3.02 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 :: 117.22 Ave N Shift Values>> N :: 120.65(3.86) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.M108 1.M108 C Shift Assignments>> C :: 176.53 CA :: 62.47 CB :: 63.81 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.03 HA :: 4.10 HB2 :: 3.95 HB3 :: 3.97 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 :: 116.87 Ave N Shift Values>> N :: 116.28(3.52) 1.Y113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 175.50 CA :: 60.79 CB :: 38.09 CE1 :: 117.36 CE2 :: 117.36 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 :: 9.33 HA :: 4.17 HB2 :: 2.62 HB3 :: 3.11 HE1 :: 6.51 HE2 :: 6.51 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 :: 122.43 Ave N Shift Values>> N :: 120.52(4.2) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.66 CA :: 61.04 CB :: 62.61 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.57 HA :: 3.65 HB2 :: 3.85 HB3 :: 3.88 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 :: 110.53 Ave N Shift Values>> N :: 116.28(3.52) 1.R115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 W 0.17 E 0.1 V 0.1 R 0.09 H 0.08 I 0.05 Q 0.05 K 0.04 M 0.03 P 0.01 C Shift Assignments>> C :: 179.68 CA :: 60.15 CB :: 30.63 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 :: 7.67 HA :: 3.96 HB2 :: 2.01 HB3 :: 2.04 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 :: 118.12 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.F116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 Y 0.25 F 0.22 C 0.18 E 0.01 C Shift Assignments>> C :: 178.16 CA :: 60.17 CB :: 38.75 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 :: 8.71 HA :: 2.98 HB2 :: 2.70 HB3 :: 2.72 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 :: 125.18 Ave N Shift Values>> N :: 120.45(4.18) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 L 0.27 A 0.26 C Shift Assignments>> C :: 176.11 CA :: 56.05 CB :: 40.54 CG :: 25.21 CD1 :: 24.85 CD2 :: 20.70 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 :: 7.07 HA :: 2.93 HB2 :: 0.88 HB3 :: 1.35 HG :: 1.07 HD11 :: 0.29 HD12 :: 0.29 HD13 :: 0.29 HD21 :: -0.12 HD22 :: -0.12 HD23 :: -0.12 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 :: 117.23 Ave N Shift Values>> N :: 121.86(3.9) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.36 R 0.06 G 0.01 C Shift Assignments>> C :: 176.07 CA :: 54.86 CB :: 33.03 CG :: 24.82 CE :: 42.17 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 :: 6.80 HA :: 4.38 HB2 :: 1.61 HB3 :: 2.07 HG2 :: 1.34 HG3 :: 1.45 HE2 :: 2.91 HE3 :: 2.93 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 :: 114.38 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.75 T 0.24 HN Overlap>> 1.I88 1.I88 1.D111 1.D111 C Shift Assignments>> C :: 174.72 CA :: 58.53 CB :: 66.57 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.68 HA :: 4.54 HB2 :: 4.15 HB3 :: 4.19 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 :: 117.22 Ave N Shift Values>> N :: 116.28(3.52) 1.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 D 0.13 L 0.12 C 0.11 K 0.05 I 0.04 N 0.02 C Shift Assignments>> C :: 178.03 CA :: 57.15 CB :: 40.38 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 :: 9.04 HA :: 4.40 HB2 :: 2.68 HB3 :: 2.72 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 :: 122.11 Ave N Shift Values>> N :: 120.65(3.86) 1.L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.38 R 0.15 G 0.03 C Shift Assignments>> C :: 178.03 CA :: 57.84 CB :: 42.93 CG :: 27.75 CD1 :: 25.49 CD2 :: 24.75 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 :: 7.79 HA :: 4.10 HB2 :: 1.64 HB3 :: 1.93 HG :: 1.79 HD11 :: 1.17 HD12 :: 1.17 HD13 :: 1.17 HD21 :: 1.07 HD22 :: 1.07 HD23 :: 1.07 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 :: 119.44 Ave N Shift Values>> N :: 121.86(3.9) 1.F122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 F 0.27 Y 0.25 C 0.15 L 0.01 K 0.01 C Shift Assignments>> C :: 176.62 CA :: 60.48 CB :: 40.22 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 :: 7.40 HA :: 4.16 HB2 :: 2.01 HB3 :: 2.74 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 :: 117.94 Ave N Shift Values>> N :: 120.45(4.18) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.37 R 0.05 C Shift Assignments>> C :: 179.00 CA :: 57.15 CB :: 42.08 CG :: 27.12 CD1 :: 25.32 CD2 :: 22.90 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 :: 8.22 HA :: 3.81 HB2 :: 1.44 HB3 :: 1.76 HG :: 1.78 HD11 :: 0.84 HD12 :: 0.84 HD13 :: 0.84 HD21 :: 0.88 HD22 :: 0.88 HD23 :: 0.88 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 :: 118.56 Ave N Shift Values>> N :: 121.86(3.9) 1.K124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.42 R 0.13 C Shift Assignments>> C :: 177.55 CA :: 57.86 CB :: 32.35 CG :: 25.27 CD :: 29.10 CE :: 42.21 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 :: 8.36 HA :: 4.13 HB2 :: 1.81 HB3 :: 1.84 HG2 :: 1.33 HG3 :: 1.42 HD2 :: 1.62 HD3 :: 1.65 HE2 :: 2.93 HE3 :: 2.95 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 :: 118.91 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.34 H 0.33 C 0.32 C Shift Assignments>> C :: 175.98 CA :: 57.91 CB :: 30.39 CD2 :: 119.53 CE1 :: 138.55 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 :: 7.56 HA :: 4.40 HB2 :: 3.02 HB3 :: 3.05 HD2 :: 6.79 HE1 :: 7.50 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 :: 120.30 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.46 R 0.05 C Shift Assignments>> C :: 177.01 CA :: 57.80 CB :: 32.90 CG :: 24.44 CD :: 29.59 CE :: 41.98 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 :: 8.12 HA :: 3.90 HB2 :: 1.36 HB3 :: 1.66 HG2 :: 1.18 HG3 :: 1.26 HD2 :: 1.53 HD3 :: 1.55 HE2 :: 2.90 HE3 :: 2.92 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 :: 121.88 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.42 G 0.06 K 0.04 C Shift Assignments>> C :: 177.62 CA :: 57.51 CB :: 30.36 CG :: 27.33 CD :: 43.40 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 :: 8.14 HA :: 4.21 HB2 :: 1.81 HB3 :: 1.87 HG2 :: 1.62 HG3 :: 1.66 HD2 :: 3.15 HD3 :: 3.16 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 :: 120.14 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.T128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 175.58 CA :: 63.96 CB :: 69.38 CG2 :: 21.78 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 :: 7.99 HA :: 4.14 HB :: 4.24 HG21 :: 1.20 HG22 :: 1.20 HG23 :: 1.20 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 :: 114.78 Ave N Shift Values>> N :: 115.42(4.75) 1.E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.38 I 0.08 K 0.05 M 0.04 Q 0.02 C Shift Assignments>> C :: 177.61 CA :: 58.00 CB :: 29.90 CG :: 36.60 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 :: 8.17 HA :: 4.12 HB2 :: 1.95 HB3 :: 1.97 HG2 :: 2.14 HG3 :: 2.21 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 :: 121.17 Ave N Shift Values>> N :: 120.67(3.48) 1.E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.36 I 0.06 K 0.06 M 0.05 Q 0.03 C Shift Assignments>> C :: 177.24 CA :: 57.40 CB :: 29.89 CG :: 36.57 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 :: 8.08 HA :: 4.16 HB2 :: 2.01 HB3 :: 2.04 HG2 :: 2.24 HG3 :: 2.34 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 :: 119.18 Ave N Shift Values>> N :: 120.67(3.48) 1.E131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.36 M 0.08 K 0.05 I 0.04 Q 0.03 C Shift Assignments>> C :: 176.90 CA :: 57.05 CB :: 30.20 CG :: 36.50 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 :: 8.07 HA :: 4.22 HB2 :: 2.04 HB3 :: 2.07 HG2 :: 2.27 HG3 :: 2.36 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 :: 119.99 Ave N Shift Values>> N :: 120.67(3.48) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.35 M 0.1 K 0.05 Q 0.05 I 0.03 C Shift Assignments>> C :: 176.57 CA :: 56.76 CB :: 30.31 CG :: 36.34 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 :: 8.10 HA :: 4.27 HB2 :: 1.97 HB3 :: 2.07 HG2 :: 2.26 HG3 :: 2.33 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 :: 120.71 Ave N Shift Values>> N :: 120.67(3.48) 1.E133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 M 0.13 Q 0.04 K 0.04 I 0.02 C Shift Assignments>> C :: 176.01 CA :: 56.62 CB :: 30.59 CG :: 36.31 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 :: 8.24 HA :: 4.27 HB2 :: 1.93 HB3 :: 2.03 HG2 :: 2.28 HG3 :: 2.31 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 :: 121.37 Ave N Shift Values>> N :: 120.67(3.48) 1.D134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.21 N 0.12 F 0.09 K 0.08 Y 0.07 C 0.05 HN Overlap>> 1.V22 1.V22 C Shift Assignments>> C :: 175.01 CA :: 54.29 CB :: 41.00 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 :: 8.35 HA :: 4.64 HB2 :: 2.56 HB3 :: 2.74 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 :: 122.03 Ave N Shift Values>> N :: 120.65(3.86) 1.L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.31 R 0.09 G 0.08 C Shift Assignments>> C :: 182.56 CA :: 56.77 CB :: 43.48 CG :: 27.21 CD1 :: 25.32 CD2 :: 23.52 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 :: 7.75 HA :: 4.16 HB2 :: 1.55 HB3 :: 1.58 HG :: 1.55 HD11 :: 0.88 HD12 :: 0.88 HD13 :: 0.88 HD21 :: 0.84 HD22 :: 0.84 HD23 :: 0.84 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 :: 128.12 Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 128 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 134 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 134 #Suspicious: 1 C Shift Results: #Consistent: 598 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 939 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 0 N Shift Results: #Consistent: 144 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L12 HB2 = -0.28(S), Expected = 1.61, Std = 0.3400, ChiSquare = 2.7160e-08 1.L12 HD21 = -0.48(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.0139e-05 1.L12 HD22 = -0.48(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.0139e-05 1.L12 HD23 = -0.48(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.0139e-05 1.L16 HD11 = -0.53(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.8441e-06 1.L16 HD12 = -0.53(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.8441e-06 1.L16 HD13 = -0.53(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.8441e-06 1.G21 HA2 = 1.98(S), Expected = 3.97, Std = 0.3700, ChiSquare = 7.5160e-08 1.G21 HA3 = 2.61(S), Expected = 3.90, Std = 0.3700, ChiSquare = 4.8941e-04 1.W41 SRO Rule Break>> HA > HB3 : 0.996420047732697 1.T66 HG21 = 0.17(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.4714e-05 1.T66 HG22 = 0.17(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.4714e-05 1.T66 HG23 = 0.17(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.4714e-05 1.M96 HG2 = 0.35(S), Expected = 2.42, Std = 0.3500, ChiSquare = 3.3332e-09 1.K109 HG2 = 0.30(S), Expected = 1.37, Std = 0.2600, ChiSquare = 3.8653e-05