Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> Y 0.13 F 0.12 S 0.12 W 0.11 E 0.08 K 0.07 R 0.06 H 0.06 Q 0.05 M 0.04 I 0.03 L 0.02 V 0.02 T 0.01 D 0.01 C Shift Assignments>> C :: 174.46 CA :: 58.35 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.N4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.19 Y 0.08 F 0.08 L 0.05 C Shift Assignments>> C :: 175.26 CA :: 53.35 CB :: 38.75 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 :: 8.32 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 :: 119.58 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 K 0.22 Q 0.19 R 0.1 H 0.09 W 0.06 E 0.04 V 0.02 C Shift Assignments>> C :: 176.46 CA :: 56.35 CB :: 33.05 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 :: 8.01 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 :: 120.18 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.35 CB :: 64.05 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8 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 :: 115.48 Ave N Shift Values>> N :: 116.28(3.52) 1.K7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.46 P 0.45 W 0.02 I 0.01 K 0.01 C Shift Assignments>> C :: 176.98(D) CA :: 63.05(D) CB :: 32.27(D) 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) 1.K9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 K 0.23 Q 0.19 R 0.1 H 0.09 W 0.06 E 0.04 V 0.02 HN Overlap>> 1.E118 1.E118 C Shift Assignments>> C :: 176.48(D) CA :: 56.55(D) CB :: 33.07(D) 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 :: 8.4(D) 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 :: 121.42(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 L 0.26 K 0.14 N 0.08 F 0.08 Y 0.05 R 0.03 HN Overlap>> 1.E60 1.E60 C Shift Assignments>> C :: 176.28(D) CA :: 54.05(D) CB :: 41.57(D) 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 :: 8.19(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.82(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.14 C Shift Assignments>> C :: 178.18(D) CA :: 52.95(D) CB :: 19.07(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.32(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.82(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.98(D) CA :: 59.05(D) CB :: 63.77(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.29(D) 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 :: 114.42(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 K 0.15 W 0.14 E 0.14 R 0.13 M 0.05 I 0.01 L 0.01 C Shift Assignments>> C :: 175.98(D) CA :: 55.95 CB :: 29.35 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 :: 8.11(D) 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 :: 121.22(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.17 W 0.14 E 0.14 Q 0.11 M 0.11 K 0.09 V 0.01 C Shift Assignments>> C :: 176.26 CA :: 56.45 CB :: 30.85 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 :: 7.93 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 :: 120.78 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.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.17 W 0.14 E 0.14 M 0.12 Q 0.11 K 0.1 V 0.01 C Shift Assignments>> CA :: 56.35 CB :: 30.95 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 :: 8.13 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 :: 121.38 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.R16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.47 V 0.45 W 0.02 I 0.01 C Shift Assignments>> C :: 176.78(D) CA :: 63.25(D) CB :: 32.17(D) 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) 1.A21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 M 0.08 HN Overlap>> 1.Q147 1.Q147 C Shift Assignments>> C :: 177.78(D) CA :: 52.45(D) CB :: 19.37(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.32(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.62(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.17 E 0.16 W 0.15 Q 0.13 M 0.09 K 0.07 HN Overlap>> 1.T88 1.T88 C Shift Assignments>> C :: 176.18(D) CA :: 56.55(D) CB :: 30.47(D) 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 :: 8.26(D) 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 :: 118.92(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.57 D 0.2 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> C :: 175.18(D) CA :: 53.05(D) CB :: 38.87(D) 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 :: 8.31(D) 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 :: 119.42(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.51 P 0.37 W 0.03 K 0.02 R 0.01 HN Overlap>> 1.F67 1.F67 C Shift Assignments>> C :: 175.98(D) CA :: 62.55(D) CB :: 32.57(D) 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 :: 7.92(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.72(D) Ave N Shift Values>> N :: 121.14(4.54) 1.H25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.17 E 0.15 W 0.15 Q 0.13 M 0.1 K 0.08 HN Overlap>> 1.R78 1.R78 C Shift Assignments>> C :: 175.88(D) CA :: 56.15(D) CB :: 30.57(D) 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 :: 8.27(D) 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 :: 122.02(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 173.88(D) CA :: 45.25(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.92(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 178.38(D) CA :: 52.55(D) CB :: 19.37(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.19(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.72(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 174.88(D) CA :: 45.35(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.39(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.02(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 HN Overlap>> 1.G46 1.G30 1.G46 1.G30 C Shift Assignments>> C :: 174.58(D) CA :: 45.25(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.42(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 L 0.15 R 0.04 F 0.01 D 0.01 HN Overlap>> 1.G80 1.G85 1.G29 1.G80 1.G85 1.G29 C Shift Assignments>> C :: 173.48(D) CA :: 44.95(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.16(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.32(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.91 M 0.07 C Shift Assignments>> C :: 176.98(D) CA :: 52.15(D) CB :: 19.37(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.97(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.12(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.22 Y 0.22 F 0.21 D 0.19 L 0.08 I 0.02 E 0.01 C Shift Assignments>> C :: 173.78(D) CA :: 55.45(D) CB :: 39.07(D) 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 :: 8.07(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.82(D) Ave N Shift Values>> N :: 120.45(4.18) 1.P33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.47 V 0.44 W 0.03 I 0.01 C Shift Assignments>> C :: 176.68(D) CA :: 63.15(D) CB :: 32.07(D) 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) 1.A34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 177.88(D) CA :: 52.65(D) CB :: 19.17(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.31(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.12(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.48(D) CA :: 58.25(D) CB :: 63.87(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.16(D) 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 :: 114.12(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 Q 0.17 R 0.15 W 0.14 E 0.13 K 0.13 M 0.06 C Shift Assignments>> C :: 175.68(D) CA :: 55.55(D) CB :: 29.67(D) 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 :: 8.29(D) 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 :: 121.72(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.S97 1.S97 C Shift Assignments>> C :: 172.68(D) CA :: 59.75(D) CB :: 69.87(D) 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 :: 8.16(D) 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 :: 117.82(D) Ave N Shift Values>> N :: 115.42(4.75) 1.P38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K40 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.45 P 0.44 W 0.03 I 0.01 K 0.01 R 0.01 C Shift Assignments>> C :: 176.58(D) CA :: 62.85(D) CB :: 32.17(D) 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) 1.A42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 177.88(D) CA :: 52.45(D) CB :: 19.27(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.41(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.42(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.48(D) CA :: 58.05(D) CB :: 64.07(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.18(D) 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 :: 114.52(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.88 M 0.1 C Shift Assignments>> C :: 177.38(D) CA :: 52.65(D) CB :: 19.27(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.36(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.92(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 L 0.25 K 0.13 F 0.09 N 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.78(D) CA :: 54.35(D) CB :: 41.37(D) 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 :: 8.12(D) 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 :: 118.72(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.09 R 0.01 HN Overlap>> 1.G29 1.G29 C Shift Assignments>> C :: 174.08(D) CA :: 45.35(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.15(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.52(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.17 E 0.15 W 0.15 Q 0.14 M 0.09 K 0.07 HN Overlap>> 1.S97 1.S97 C Shift Assignments>> C :: 175.28(D) CA :: 56.35(D) CB :: 30.47(D) 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 :: 8 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 :: 117.88 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 H 0.17 M 0.14 W 0.13 E 0.12 Q 0.11 K 0.11 C Shift Assignments>> C :: 176.18 CA :: 55.85 CB :: 31.07 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 :: 8.2 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 :: 122.32 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.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.27 R 0.17 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 171.68 CA :: 44.35 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.12 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.62 Ave N Shift Values>> N :: 109.67(3.87) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.46 V 0.46 W 0.02 I 0.01 C Shift Assignments>> C :: 177.28 CA :: 63.25 CB :: 32.27 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) 1.S51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.38(D) CA :: 58.35(D) CB :: 63.87(D) 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 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 :: 115.82 Ave N Shift Values>> N :: 116.28(3.52) 1.A52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 177.18(D) CA :: 52.45(D) CB :: 19.37(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.17(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.62(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 M 0.09 HN Overlap>> 1.V73 1.A59 1.V73 1.A59 C Shift Assignments>> C :: 177.18(D) CA :: 52.35(D) CB :: 19.27(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.01(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.22(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.31 Y 0.31 D 0.12 L 0.1 I 0.07 N 0.04 K 0.01 HN Overlap>> 1.V86 1.V86 C Shift Assignments>> C :: 174.78 CA :: 57.15(D) CB :: 39.77(D) 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 :: 7.91(D) 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 :: 118.72(D) Ave N Shift Values>> N :: 120.45(4.18) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.04 C Shift Assignments>> C :: 174.68 CA :: 50.05 CB :: 18.67 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.98 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.92 Ave N Shift Values>> N :: 123.23(3.54) 1.P56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A57 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> A 0.91 M 0.07 C Shift Assignments>> C :: 177.16 CA :: 52.15 CB :: 19.45 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.05 HN Overlap>> 1.A53 1.V73 1.A53 1.V73 C Shift Assignments>> C :: 177.26 CA :: 51.95 CB :: 19.55 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.02 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.28 Ave N Shift Values>> N :: 123.23(3.54) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 E 0.18 H 0.16 Q 0.14 R 0.12 K 0.08 I 0.04 M 0.03 V 0.02 P 0.01 HN Overlap>> 1.N10 1.N10 C Shift Assignments>> C :: 174.36 CB :: 29.85 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 :: 8.11 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 :: 120.78 Ave N Shift Values>> N :: 120.67(3.48) 1.P61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.47 V 0.45 W 0.02 I 0.01 C Shift Assignments>> C :: 176.88(D) CA :: 63.15(D) CB :: 32.17(D) 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) 1.K62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 K 0.22 Q 0.19 R 0.1 H 0.09 W 0.06 E 0.04 V 0.01 C Shift Assignments>> C :: 176.38(D) CA :: 56.05(D) CB :: 33.07(D) 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 :: 8.29(D) 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 :: 121.12(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.91 M 0.07 HN Overlap>> 1.A79 1.A79 C Shift Assignments>> C :: 177.38(D) CA :: 52.25(D) CB :: 19.37(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.19(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.12(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 177.38(D) CA :: 52.25(D) CB :: 19.27(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.17(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.42(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 178.08(D) CA :: 52.45(D) CB :: 19.37(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.14 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.02 Ave N Shift Values>> N :: 123.23(3.54) 1.G66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.14 R 0.03 F 0.01 HN Overlap>> 1.G84 1.G84 C Shift Assignments>> C :: 173.78(D) CA :: 45.05(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.18(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.52(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.34 Y 0.33 I 0.1 D 0.08 L 0.08 N 0.02 K 0.01 HN Overlap>> 1.V24 1.V24 C Shift Assignments>> C :: 175.38(D) CA :: 57.75(D) CB :: 39.77(D) 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 :: 7.99(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.72(D) Ave N Shift Values>> N :: 120.45(4.18) 1.N68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.55 D 0.23 F 0.07 Y 0.06 L 0.06 C Shift Assignments>> C :: 174.98(D) CA :: 52.85(D) CB :: 39.17(D) 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 :: 8.36(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.82(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.78(D) CA :: 58.55(D) CB :: 63.87(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.24(D) 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 :: 116.62(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.28(D) CA :: 58.65(D) CB :: 63.87(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3(D) 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 :: 117.12(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 L 0.24 K 0.12 F 0.1 N 0.1 Y 0.07 R 0.01 HN Overlap>> 1.R110 1.R110 C Shift Assignments>> C :: 176.28(D) CA :: 54.45(D) CB :: 41.17(D) 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 :: 8.18(D) 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 :: 121.82(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.58(D) CA :: 61.95(D) CB :: 69.87(D) 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 :: 7.98(D) 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 :: 113.92(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.54 P 0.33 W 0.03 K 0.02 R 0.01 HN Overlap>> 1.A53 1.A53 1.A59 1.A59 C Shift Assignments>> C :: 176.28(D) CA :: 62.45(D) CB :: 32.77(D) 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 :: 8.06(D) 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 :: 122.32(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.28(D) CA :: 61.65(D) CB :: 69.87(D) 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 :: 8.15(D) 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 :: 117.42(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 172.68(D) CA :: 56.35(D) CB :: 63.57(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.18(D) 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 :: 119.22(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.48 V 0.45 W 0.02 I 0.01 C Shift Assignments>> C :: 176.88(D) CA :: 63.35(D) CB :: 32.17(D) 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) 1.Q77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.17 K 0.15 W 0.14 E 0.14 R 0.14 M 0.05 I 0.01 C Shift Assignments>> C :: 175.88(D) CA :: 55.85(D) CB :: 29.47(D) 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 :: 8.33(D) 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 :: 119.92(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 H 0.17 M 0.15 W 0.13 E 0.12 Q 0.11 K 0.1 HN Overlap>> 1.H25 1.H25 C Shift Assignments>> C :: 175.58(D) CA :: 55.75(D) CB :: 31.07(D) 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 :: 8.22(D) 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 :: 122.12(D) 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.A79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.93 M 0.05 L 0.01 HN Overlap>> 1.A63 1.A63 C Shift Assignments>> C :: 177.58(D) CA :: 52.15(D) CB :: 19.77(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.24(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.12(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.51 L 0.25 R 0.14 F 0.03 D 0.02 Y 0.01 HN Overlap>> 1.G85 1.G30 1.G85 1.G30 C Shift Assignments>> C :: 171.88(D) CA :: 44.45(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.12(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.22(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.46 P 0.46 W 0.02 I 0.01 C Shift Assignments>> C :: 177.08 CA :: 63.15 CB :: 32.27 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) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.21 K 0.18 R 0.13 F 0.08 Y 0.05 N 0.02 HN Overlap>> 1.E150 1.E150 C Shift Assignments>> C :: 177.28 CA :: 54.95 CB :: 42.27 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 :: 8.25 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 :: 121.32 Ave N Shift Values>> N :: 121.86(3.9) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 177.88 CA :: 52.45 CB :: 19.27 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.12 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.52 Ave N Shift Values>> N :: 123.23(3.54) 1.G84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 HN Overlap>> 1.G66 1.G66 C Shift Assignments>> C :: 174.58(D) CA :: 45.25(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.22 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.62 Ave N Shift Values>> N :: 109.67(3.87) 1.G85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 HN Overlap>> 1.G80 1.G80 1.G30 1.G30 C Shift Assignments>> C :: 177.08(D) CA :: 45.15(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.12(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.22(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 P 0.21 K 0.04 W 0.04 Q 0.02 R 0.01 M 0.01 I 0.01 H 0.01 HN Overlap>> 1.F54 1.F54 C Shift Assignments>> C :: 176.18 CA :: 61.95 CB :: 33.17 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 :: 7.9 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 :: 118.72 Ave N Shift Values>> N :: 121.14(4.54) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.98 CA :: 62.15 CB :: 70.17 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 :: 8.35 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 :: 118.42 Ave N Shift Values>> N :: 115.42(4.75) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.E22 1.E22 C Shift Assignments>> C :: 173.08 CA :: 62.15 CB :: 70.27 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 :: 8.23 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 :: 119.02 Ave N Shift Values>> N :: 115.42(4.75) 1.F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 R 0.22 K 0.19 D 0.11 F 0.1 Y 0.07 G 0.01 C Shift Assignments>> C :: 173.68 CA :: 56.45 CB :: 42.57 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 :: 9.38 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 :: 126.62 Ave N Shift Values>> N :: 120.45(4.18) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.26 K 0.13 M 0.12 V 0.11 Q 0.11 I 0.08 Y 0.07 F 0.03 W 0.01 H 0.01 R 0.01 C Shift Assignments>> C :: 175.08 CA :: 59.25 CB :: 35.17 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.4 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 :: 118.72 Ave N Shift Values>> N :: 121.14(4.54) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 L 0.17 M 0.01 C Shift Assignments>> C :: 179.38 CA :: 52.35 CB :: 21.37 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.46 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.42 Ave N Shift Values>> N :: 123.23(3.54) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> L 0.31 R 0.29 D 0.12 K 0.1 F 0.07 Y 0.04 G 0.03 C Shift Assignments>> C :: 174.98 CA :: 55.55 CB :: 43.07 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) 1.Y93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 D 0.22 R 0.2 K 0.08 F 0.04 G 0.03 Y 0.02 N 0.02 C Shift Assignments>> C :: 173.48 CA :: 53.65 CB :: 42.87 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 :: 7.07 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 :: 111.82 Ave N Shift Values>> N :: 120.52(4.2) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.25 K 0.17 R 0.11 F 0.07 Y 0.04 N 0.03 C Shift Assignments>> C :: 175.78 CA :: 54.45 CB :: 42.17 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 :: 8.21 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.Y95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 F 0.19 L 0.15 R 0.14 Y 0.14 D 0.05 I 0.03 C Shift Assignments>> C :: 173.38 CA :: 58.25 CB :: 42.17 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 :: 8.52 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 :: 120.82 Ave N Shift Values>> N :: 120.52(4.2) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 R 0.18 M 0.16 W 0.12 Q 0.12 E 0.09 K 0.08 C Shift Assignments>> C :: 173.88 CA :: 53.75 CB :: 30.87 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 :: 7.34 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 :: 127.72 Ave N Shift Values>> N :: 120.67(3.48) 1.S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T37 1.H47 1.T37 1.H47 C Shift Assignments>> C :: 175.18 CA :: 58.05 CB :: 63.87 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.09 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 :: 117.82 Ave N Shift Values>> N :: 116.28(3.52) 1.R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 K 0.18 R 0.16 H 0.14 W 0.1 E 0.08 Q 0.06 V 0.01 C Shift Assignments>> C :: 176.48 CA :: 55.75 CB :: 32.07 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 :: 9.65 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 :: 124.42 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.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.78 CA :: 60.05 CB :: 70.97 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 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 :: 113.52 Ave N Shift Values>> N :: 115.42(4.75) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.19 E 0.17 R 0.14 H 0.14 Q 0.12 K 0.09 M 0.05 I 0.03 V 0.02 C Shift Assignments>> C :: 177.38 CA :: 58.45 CB :: 30.07 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 :: 8.8 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 :: 119.42 Ave N Shift Values>> N :: 120.67(3.48) 1.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.18 CA :: 61.35 CB :: 69.77 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 :: 7.67 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 :: 105.52 Ave N Shift Values>> N :: 115.42(4.75) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.3 K 0.13 R 0.09 F 0.05 N 0.05 Y 0.03 C Shift Assignments>> C :: 175.08 CA :: 53.55 CB :: 42.17 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 :: 7.82 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 :: 123.12 Ave N Shift Values>> N :: 120.65(3.86) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.2 R 0.03 D 0.02 F 0.01 C Shift Assignments>> C :: 175.18 CA :: 53.85 CB :: 45.07 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 :: 8.55 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.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.78 CA :: 58.05 CB :: 64.77 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 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 :: 116.92 Ave N Shift Values>> N :: 116.28(3.52) 1.F105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 F 0.22 L 0.19 Y 0.18 K 0.07 N 0.06 I 0.02 C Shift Assignments>> C :: 173.58 CA :: 56.15 CB :: 40.57 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 :: 8.53 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 :: 116.62 Ave N Shift Values>> N :: 120.45(4.18) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 N 0.23 E 0.14 Q 0.11 K 0.09 Y 0.03 F 0.02 H 0.01 R 0.01 C Shift Assignments>> C :: 175.98 CA :: 52.95 CB :: 35.47 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 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 :: 119.32 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 M 0.15 V 0.11 R 0.11 W 0.11 Q 0.11 H 0.09 E 0.07 C Shift Assignments>> C :: 177.38 CA :: 58.65 CB :: 32.67 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.13 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 :: 120.82 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.17 R 0.05 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.88 CA :: 44.85 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.92 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.72 Ave N Shift Values>> N :: 109.67(3.87) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 R 0.15 K 0.14 H 0.13 E 0.13 M 0.12 Q 0.06 V 0.06 C Shift Assignments>> C :: 174.98 CA :: 58.35 CB :: 31.57 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 :: 8.32 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 :: 123.42 Ave N Shift Values>> N :: 120.67(3.48) 1.R110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 R 0.17 H 0.16 K 0.14 W 0.11 E 0.09 Q 0.07 HN Overlap>> 1.D71 1.D71 C Shift Assignments>> C :: 175.38 CA :: 55.35 CB :: 31.67 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 :: 8.23 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 :: 121.82 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.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.11 C Shift Assignments>> C :: 175.18 CA :: 53.45 CB :: 46.07 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.09 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 :: 123.22 Ave N Shift Values>> N :: 121.86(3.9) 1.Q112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 R 0.18 M 0.18 W 0.12 Q 0.11 K 0.1 E 0.09 C Shift Assignments>> C :: 175.48 CA :: 54.15 CB :: 31.07 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 :: 9.13 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 :: 121.52 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 I 0.12 Y 0.11 M 0.1 K 0.09 V 0.08 Q 0.06 F 0.05 H 0.01 W 0.01 C Shift Assignments>> C :: 175.58 CA :: 59.25 CB :: 35.57 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9 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 :: 125.52 Ave N Shift Values>> N :: 121.46(4.28) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 P 0.39 W 0.01 C Shift Assignments>> C :: 175.88 CA :: 63.35 CB :: 32.87 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 :: 8.66 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.82 Ave N Shift Values>> N :: 121.14(4.54) 1.N115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.22 L 0.18 F 0.08 Y 0.06 K 0.04 C Shift Assignments>> C :: 173.98 CA :: 53.55 CB :: 40.67 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 :: 7.64 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 :: 116.12 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.74 M 0.05 Y 0.04 D 0.04 E 0.04 F 0.03 C Shift Assignments>> C :: 175.28 CA :: 52.05 CB :: 37.17 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 :: 8.3 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 :: 122.82 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.18 CA :: 63.25 CB :: 69.67 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 :: 7.84 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 :: 111.22 Ave N Shift Values>> N :: 115.42(4.75) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.17 W 0.15 E 0.15 Q 0.14 M 0.09 K 0.07 HN Overlap>> 1.K9 1.K9 C Shift Assignments>> C :: 176.58 CA :: 55.95 CB :: 30.37 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 :: 8.47 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 :: 121.42 Ave N Shift Values>> N :: 120.67(3.48) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 174.28 CA :: 45.75 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.29 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.12 Ave N Shift Values>> N :: 109.67(3.87) 1.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.24 K 0.16 F 0.13 Y 0.09 N 0.05 R 0.02 C Shift Assignments>> C :: 175.68 CA :: 55.25 CB :: 41.27 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 :: 8.51 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 :: 118.32 Ave N Shift Values>> N :: 120.65(3.86) 1.W121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 H 0.17 M 0.13 W 0.13 E 0.13 Q 0.11 K 0.1 C Shift Assignments>> C :: 175.28 CA :: 55.85 CB :: 30.97 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 :: 7.67 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 :: 120.42 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.W122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 H 0.14 K 0.14 R 0.13 Q 0.08 W 0.07 P 0.05 E 0.03 C Shift Assignments>> C :: 175.08 CA :: 52.65 CB :: 32.37 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 :: 9.08 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 :: 124.12 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.21 D 0.17 K 0.14 F 0.07 Y 0.04 G 0.01 N 0.01 C Shift Assignments>> C :: 174.78 CA :: 55.05 CB :: 42.67 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 :: 8.78 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 :: 124.92 Ave N Shift Values>> N :: 121.86(3.9) 1.A124 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.82 L 0.11 K 0.02 R 0.02 C Shift Assignments>> C :: 173.48 CA :: 50.45 CB :: 25.57(S) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.03 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.92 Ave N Shift Values>> N :: 123.23(3.54) 1.H125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 K 0.17 H 0.13 R 0.13 Q 0.12 W 0.07 E 0.03 C Shift Assignments>> C :: 174.98 CA :: 53.55 CB :: 32.57 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 :: 9.03 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 :: 117.72 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.38 CA :: 57.25 CB :: 63.37 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.71 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 :: 119.32 Ave N Shift Values>> N :: 116.28(3.52) 1.L127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.2 D 0.2 F 0.2 Y 0.16 K 0.14 N 0.03 I 0.02 R 0.01 C Shift Assignments>> C :: 178.08 CA :: 56.35 CB :: 40.97 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 :: 8.66 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 :: 129.22 Ave N Shift Values>> N :: 121.86(3.9) 1.S128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.98 CA :: 60.55 CB :: 63.77 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.39 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 :: 113.92 Ave N Shift Values>> N :: 116.28(3.52) 1.T129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.58 CA :: 61.55 CB :: 71.27 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 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 :: 108.02 Ave N Shift Values>> N :: 115.42(4.75) 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 173.58 CA :: 45.85 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.83 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.82 Ave N Shift Values>> N :: 109.67(3.87) 1.Q131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.18 M 0.13 W 0.13 E 0.12 Q 0.12 K 0.09 C Shift Assignments>> C :: 174.28 CA :: 55.35 CB :: 30.87 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 :: 7.35 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 :: 118.62 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.28 CA :: 60.55 CB :: 72.07 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 :: 8.47 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 :: 116.32 Ave N Shift Values>> N :: 115.42(4.75) 1.G133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 171.28 CA :: 45.45 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.Y134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.3 I 0.26 K 0.03 L 0.03 D 0.01 C Shift Assignments>> C :: 176.38 CA :: 60.05 CB :: 40.47 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 :: 8.91 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.32 Ave N Shift Values>> N :: 120.52(4.2) 1.I135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 D 0.17 L 0.16 K 0.06 I 0.04 N 0.03 C Shift Assignments>> C :: 172.18 CA :: 56.85 CB :: 40.47 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.41 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 :: 112.32 Ave N Shift Values>> N :: 121.46(4.28) 1.P136 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S137 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> N 0.47 E 0.16 M 0.14 Y 0.07 F 0.04 K 0.03 D 0.02 Q 0.01 C Shift Assignments>> C :: 175.48 CA :: 53.25 CB :: 36.47 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) 1.Y139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.34 I 0.18 D 0.03 L 0.03 N 0.01 E 0.01 C Shift Assignments>> C :: 174.88 CA :: 58.45 CB :: 39.17 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 :: 7.84 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.32 Ave N Shift Values>> N :: 120.52(4.2) 1.V140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 Y 0.2 I 0.13 F 0.12 M 0.07 K 0.03 V 0.01 Q 0.01 C Shift Assignments>> C :: 173.78 CA :: 58.35 CB :: 36.57 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 :: 7.06 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 :: 108.32 Ave N Shift Values>> N :: 121.14(4.54) 1.A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 L 0.07 G 0.01 C Shift Assignments>> C :: 173.78 CA :: 49.65 CB :: 21.57 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.66 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.72 Ave N Shift Values>> N :: 123.23(3.54) 1.P142 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.38 CA :: 59.35 CB :: 63.57 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.D144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.21 N 0.14 F 0.1 Y 0.08 K 0.07 C Shift Assignments>> C :: 176.18 CA :: 54.25 CB :: 40.87 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 :: 8.28 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 :: 120.72 Ave N Shift Values>> N :: 120.65(3.86) 1.S145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.38 CA :: 58.45 CB :: 64.27 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.94 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 :: 114.72 Ave N Shift Values>> N :: 116.28(3.52) 1.I146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 Y 0.25 F 0.21 E 0.01 C Shift Assignments>> C :: 176.28 CA :: 61.05 CB :: 38.57 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 :: 7.86 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 :: 122.02 Ave N Shift Values>> N :: 121.46(4.28) 1.Q147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 H 0.16 K 0.15 W 0.14 E 0.13 R 0.13 M 0.05 L 0.01 I 0.01 HN Overlap>> 1.A21 1.A21 C Shift Assignments>> C :: 175.68 CA :: 55.85 CB :: 29.37 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 :: 8.31 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 :: 123.72 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 177.68 CA :: 52.65 CB :: 19.37 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.92 Ave N Shift Values>> N :: 123.23(3.54) 1.E149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.17 E 0.16 W 0.15 Q 0.14 M 0.08 K 0.07 C Shift Assignments>> C :: 176.48 CA :: 56.55 CB :: 30.37 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 :: 8.22 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 :: 119.72 Ave N Shift Values>> N :: 120.67(3.48) 1.E150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.17 E 0.16 W 0.15 Q 0.14 M 0.08 K 0.07 HN Overlap>> 1.L82 1.L82 C Shift Assignments>> C :: 176.18 CA :: 56.55 CB :: 30.37 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 :: 8.26 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 :: 121.32 Ave N Shift Values>> N :: 120.67(3.48) 1.H151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.18 W 0.14 E 0.14 Q 0.13 M 0.1 K 0.07 C Shift Assignments>> C :: 174.98 CA :: 55.95 CB :: 30.57 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 :: 8.16 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 :: 119.52 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H152 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H153 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H154 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H155 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H156 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 98 #Clerical: 57 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 136 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 20 Shift Relative Order (SRO) Results: #Consistent: 156 #Suspicious: 0 C Shift Results: #Consistent: 230 #Duplicate: 159 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 75 #Duplicate: 47 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 75 #Duplicate: 47 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P8 C = 176.98(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.7894e-01 1.P8 CA = 63.05(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.5385e-01 1.P8 CB = 32.27(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.2189e-01 1.K9 C = 176.48(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.3624e-01 1.K9 CA = 56.55(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.5573e-01 1.K9 CB = 33.07(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.7501e-01 1.K9 H = 8.4(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.2634e-01 1.K9 N = 121.42(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.2182e-01 1.N10 C = 176.28(D), Expected = 175.27, Std = 1.7900, ChiSquare = 5.7259e-01 1.N10 CA = 54.05(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.8618e-01 1.N10 CB = 41.57(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.8355e-02 1.N10 H = 8.19(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.1181e-01 1.N10 N = 120.82(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.3908e-01 1.A11 C = 178.18(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.3634e-01 1.A11 CA = 52.95(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.2355e-01 1.A11 CB = 19.07(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.7384e-01 1.A11 H = 8.32(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.4148e-01 1.A11 N = 124.82(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.5332e-01 1.S12 C = 174.98(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.3421e-01 1.S12 CA = 59.05(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.7334e-01 1.S12 CB = 63.77(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.8383e-01 1.S12 H = 8.29(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.8648e-01 1.S12 N = 114.42(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.9722e-01 1.Q13 C = 175.98(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.6562e-01 1.Q13 H = 8.11(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.5210e-01 1.Q13 N = 121.22(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.1180e-01 1.P20 C = 176.78(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.8415e-01 1.P20 CA = 63.25(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.5803e-01 1.P20 CB = 32.17(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.8625e-01 1.A21 C = 177.78(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.8502e-01 1.A21 CA = 52.45(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.2748e-01 1.A21 CB = 19.37(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.4405e-01 1.A21 H = 8.32(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.4148e-01 1.A21 N = 123.62(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.1228e-01 1.E22 C = 176.18(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.2345e-01 1.E22 CA = 56.55(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.1256e-01 1.E22 CB = 30.47(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.8913e-01 1.E22 H = 8.26(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.0556e-01 1.E22 N = 118.92(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.1505e-01 1.N23 C = 175.18(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.5990e-01 1.N23 CA = 53.05(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.9437e-01 1.N23 CB = 38.87(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.1518e-01 1.N23 H = 8.31(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.6202e-01 1.N23 N = 119.42(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.0323e-01 1.V24 C = 175.98(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.4972e-01 1.V24 CA = 62.55(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.8326e-01 1.V24 CB = 32.57(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.2878e-01 1.V24 H = 7.92(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.8078e-01 1.V24 N = 119.72(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.5445e-01 1.H25 C = 175.88(D), Expected = 175.25, Std = 1.9700, ChiSquare = 7.4912e-01 1.H25 CA = 56.15(D), Expected = 56.52, Std = 2.3100, ChiSquare = 8.7274e-01 1.H25 CB = 30.57(D), Expected = 30.24, Std = 2.0700, ChiSquare = 8.7334e-01 1.H25 H = 8.27(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.6481e-01 1.H25 N = 122.02(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.6023e-01 1.G26 C = 173.88(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.9576e-01 1.G26 CA = 45.25(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.4051e-01 1.G26 H = 8.2(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4148e-01 1.G26 N = 109.92(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.4849e-01 1.A27 C = 178.38(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.6382e-01 1.A27 CA = 52.55(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.6572e-01 1.A27 CB = 19.37(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.4405e-01 1.A27 H = 8.19(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8670e-01 1.A27 N = 123.72(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.8991e-01 1.G28 C = 174.88(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.9111e-01 1.G28 CA = 45.35(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.0000e+00 1.G28 H = 8.39(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2645e-01 1.G28 N = 108.02(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.6985e-01 1.G29 C = 174.58(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.0568e-01 1.G29 CA = 45.25(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.4051e-01 1.G29 H = 8.2(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4148e-01 1.G29 N = 108.42(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.4670e-01 1.G30 C = 173.48(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.3566e-01 1.G30 CA = 44.95(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.6532e-01 1.G30 H = 8.16(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.9368e-01 1.G30 N = 108.32(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.2721e-01 1.A31 C = 176.98(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.2124e-01 1.A31 CA = 52.15(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.1707e-01 1.A31 CB = 19.37(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.4405e-01 1.A31 H = 7.97(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0147e-01 1.A31 N = 123.12(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.7521e-01 1.F32 C = 173.78(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.0987e-01 1.F32 CA = 55.45(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.0614e-01 1.F32 CB = 39.07(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.5980e-01 1.F32 H = 8.07(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.8711e-01 1.F32 N = 119.82(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.8020e-01 1.P33 C = 176.68(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.6303e-01 1.P33 CA = 63.15(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.0573e-01 1.P33 CB = 32.07(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.5210e-01 1.A34 C = 177.88(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.4759e-01 1.A34 CA = 52.65(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.0454e-01 1.A34 CB = 19.17(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.3033e-01 1.A34 H = 8.31(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.5454e-01 1.A34 N = 124.12(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.0150e-01 1.S35 C = 174.48(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.3513e-01 1.S35 CA = 58.25(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.2038e-01 1.S35 CB = 63.87(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.6228e-01 1.S35 H = 8.16(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.3883e-01 1.S35 N = 114.12(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.3946e-01 1.Q36 C = 175.68(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.4664e-01 1.Q36 CA = 55.55(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.3362e-01 1.Q36 CB = 29.67(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.9198e-01 1.Q36 H = 8.29(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.0556e-01 1.Q36 N = 121.72(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.1122e-01 1.T37 C = 172.68(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.9059e-01 1.T37 CA = 59.75(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.4025e-01 1.T37 CB = 69.87(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.3155e-01 1.T37 H = 8.16(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.9733e-01 1.T37 N = 117.82(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.1337e-01 1.P41 C = 176.58(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.1036e-01 1.P41 CA = 62.85(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.5216e-01 1.P41 CB = 32.17(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.8625e-01 1.A42 C = 177.88(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.4759e-01 1.A42 CA = 52.45(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.2748e-01 1.A42 CB = 19.27(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.8702e-01 1.A42 H = 8.41(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.2634e-01 1.A42 N = 124.42(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.3675e-01 1.S43 C = 174.48(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.3513e-01 1.S43 CA = 58.05(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.4619e-01 1.S43 CB = 64.07(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.5524e-01 1.S43 H = 8.18(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.6541e-01 1.S43 N = 114.52(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.1707e-01 1.A44 C = 177.38(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.6579e-01 1.A44 CA = 52.65(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.0454e-01 1.A44 CB = 19.27(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.8702e-01 1.A44 H = 8.36(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.8973e-01 1.A44 N = 125.92(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.4732e-01 1.D45 C = 176.78(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.2810e-01 1.D45 CA = 54.35(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.6699e-01 1.D45 CB = 41.37(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.6229e-01 1.D45 H = 8.12(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.4322e-01 1.D45 N = 118.72(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.1707e-01 1.G46 C = 174.08(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.1106e-01 1.G46 CA = 45.35(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.0000e+00 1.G46 H = 8.15(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.8184e-01 1.G46 N = 108.52(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.6635e-01 1.H47 C = 175.28(D), Expected = 175.25, Std = 1.9700, ChiSquare = 9.8785e-01 1.H47 CA = 56.35(D), Expected = 56.52, Std = 2.3100, ChiSquare = 9.4133e-01 1.H47 CB = 30.47(D), Expected = 30.24, Std = 2.0700, ChiSquare = 9.1153e-01 1.S51 C = 174.38(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.8903e-01 1.S51 CA = 58.35(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.5814e-01 1.S51 CB = 63.87(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.6228e-01 1.A52 C = 177.18(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.9262e-01 1.A52 CA = 52.45(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.2748e-01 1.A52 CB = 19.37(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.4405e-01 1.A52 H = 8.17(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6012e-01 1.A52 N = 125.62(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.9959e-01 1.A53 C = 177.18(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.9262e-01 1.A53 CA = 52.35(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.8990e-01 1.A53 CB = 19.27(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.8702e-01 1.A53 H = 8.01(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.5150e-01 1.A53 N = 122.22(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.7541e-01 1.F54 CA = 57.15(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.1745e-01 1.F54 CB = 39.77(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.1617e-01 1.F54 H = 7.91(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.3197e-01 1.F54 N = 118.72(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.7896e-01 1.P61 C = 176.88(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.3139e-01 1.P61 CA = 63.15(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.0573e-01 1.P61 CB = 32.17(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.8625e-01 1.K62 C = 176.38(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.9657e-01 1.K62 CA = 56.05(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.8247e-01 1.K62 CB = 33.07(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.7501e-01 1.K62 H = 8.29(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.6763e-01 1.K62 N = 121.12(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.8519e-01 1.A63 C = 177.38(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.6579e-01 1.A63 CA = 52.25(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.5307e-01 1.A63 CB = 19.37(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.4405e-01 1.A63 H = 8.19(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8670e-01 1.A63 N = 125.12(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.9341e-01 1.A64 C = 177.38(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.6579e-01 1.A64 CA = 52.25(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.5307e-01 1.A64 CB = 19.27(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.8702e-01 1.A64 H = 8.17(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6012e-01 1.A64 N = 123.42(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.5720e-01 1.A65 C = 178.08(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.7318e-01 1.A65 CA = 52.45(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.2748e-01 1.A65 CB = 19.37(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.4405e-01 1.G66 C = 173.78(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.6182e-01 1.G66 CA = 45.05(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.2285e-01 1.G66 H = 8.18(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.1749e-01 1.G66 N = 107.52(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.7851e-01 1.F67 C = 175.38(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.8396e-01 1.F67 CA = 57.75(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.9783e-01 1.F67 CB = 39.77(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.1617e-01 1.F67 H = 7.99(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.0733e-01 1.F67 N = 119.72(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.6136e-01 1.N68 C = 174.98(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.7130e-01 1.N68 CA = 52.85(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.1360e-01 1.N68 CB = 39.17(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.7639e-01 1.N68 H = 8.36(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.7467e-01 1.N68 N = 120.82(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.3908e-01 1.S69 C = 174.78(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.2589e-01 1.S69 CA = 58.55(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.3455e-01 1.S69 CB = 63.87(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.6228e-01 1.S69 H = 8.24(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.4595e-01 1.S69 N = 116.62(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.2305e-01 1.S70 C = 174.28(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.4330e-01 1.S70 CA = 58.65(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.7302e-01 1.S70 CB = 63.87(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.6228e-01 1.S70 H = 8.3(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.7296e-01 1.S70 N = 117.12(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.1139e-01 1.D71 C = 176.28(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.4533e-01 1.D71 CA = 54.45(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.0589e-01 1.D71 CB = 41.17(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.5793e-01 1.D71 H = 8.18(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.2265e-01 1.D71 N = 121.82(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.6181e-01 1.T72 C = 174.58(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.8187e-01 1.T72 CA = 61.95(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.1697e-01 1.T72 CB = 69.87(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.3155e-01 1.T72 H = 7.98(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.7496e-01 1.T72 N = 113.92(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.5216e-01 1.V73 C = 176.28(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.2831e-01 1.V73 CA = 62.45(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.8884e-01 1.V73 CB = 32.77(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.8217e-01 1.V73 H = 8.06(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.3138e-01 1.V73 N = 122.32(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.9493e-01 1.T74 C = 174.28(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.8256e-01 1.T74 CA = 61.65(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.2581e-01 1.T74 CB = 69.87(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.3155e-01 1.T74 H = 8.15(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.8458e-01 1.T74 N = 117.42(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.7372e-01 1.S75 C = 172.68(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.5936e-01 1.S75 CA = 56.35(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.5224e-01 1.S75 CB = 63.57(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.7650e-01 1.S75 H = 8.18(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.6541e-01 1.S75 N = 119.22(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.0359e-01 1.P76 C = 176.88(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.3139e-01 1.P76 CA = 63.35(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.8950e-01 1.P76 CB = 32.17(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.8625e-01 1.Q77 C = 175.88(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.2547e-01 1.Q77 CA = 55.85(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.3653e-01 1.Q77 CB = 29.47(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.7773e-01 1.Q77 H = 8.33(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.5210e-01 1.Q77 N = 119.92(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.9335e-01 1.R78 C = 175.58(D), Expected = 176.41, Std = 2.0300, ChiSquare = 6.8264e-01 1.R78 CA = 55.75(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.5881e-01 1.R78 CB = 31.07(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.3977e-01 1.R78 H = 8.22(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.7384e-01 1.R78 N = 122.12(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.1982e-01 1.A79 C = 177.58(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.4012e-01 1.A79 CA = 52.15(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.1707e-01 1.A79 CB = 19.77(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.7792e-01 1.A79 H = 8.24(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.4685e-01 1.A79 N = 125.12(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.9341e-01 1.G80 C = 171.88(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.8982e-01 1.G80 CA = 44.45(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.0181e-01 1.G80 H = 8.12(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.4664e-01 1.G80 N = 108.22(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.0790e-01 1.G84 C = 174.58(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.0568e-01 1.G84 CA = 45.25(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.4051e-01 1.G85 C = 177.08(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.7739e-02 1.G85 CA = 45.15(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.8135e-01 1.G85 H = 8.12(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.4664e-01 1.G85 N = 108.22(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.0790e-01 1.A124 CB = 25.57(S), Expected = 19.01, Std = 1.8300, ChiSquare = 3.3747e-04