Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> L 0.31 R 0.21 D 0.16 K 0.16 Y 0.05 C 0.05 N 0.01 G 0.01 C Shift Assignments>> C :: 176.925(D) CA :: 55.394(D) CB :: 42.602(D) 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.R3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 C 0.15 M 0.15 W 0.13 E 0.13 K 0.11 Q 0.11 V 0.01 HN Overlap>> 1.R5 1.R5 C Shift Assignments>> C :: 175.945(D) CA :: 56.000(D) CB :: 31.100(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 :: 8.452(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 :: 122.296(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.K4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 K 0.2 Q 0.18 C 0.18 R 0.09 W 0.05 E 0.03 V 0.01 C Shift Assignments>> C :: 176.517(D) CA :: 56.194(D) CB :: 33.099(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 :: 8.324(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 :: 122.816(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 W 0.15 E 0.15 C 0.15 Q 0.12 M 0.11 K 0.09 V 0.01 HN Overlap>> 1.R3 1.R3 C Shift Assignments>> C :: 176.202(D) CA :: 56.600(D) CB :: 30.788(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 :: 8.381(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 :: 122.320(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.W6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 E 0.16 Q 0.15 K 0.14 C 0.14 R 0.13 M 0.04 I 0.02 HN Overlap>> 1.L43 1.I39 1.Q7 1.L13 1.L43 1.I39 1.Q7 1.L13 C Shift Assignments>> C :: 176.311(D) CA :: 57.313(D) CB :: 29.500(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.141(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.287(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.16 E 0.15 W 0.15 C 0.13 R 0.13 M 0.04 I 0.01 L 0.01 HN Overlap>> 1.M35 1.I39 1.D38 1.M35 1.I39 1.D38 1.W6 1.W6 C Shift Assignments>> C :: 175.690(D) CA :: 56.500(D) CB :: 29.300(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 :: 8.191(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 :: 121.203(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.51 D 0.18 C 0.11 Y 0.1 L 0.05 M 0.01 E 0.01 C Shift Assignments>> C :: 175.403(D) CA :: 53.700(D) CB :: 38.700(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 :: 8.213(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 :: 118.613(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.17 W 0.17 R 0.15 Q 0.15 C 0.14 K 0.11 M 0.05 I 0.02 C Shift Assignments>> C :: 176.659(D) CA :: 57.300(D) CB :: 29.899(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 :: 8.411(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 :: 120.998(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.2 M 0.2 C 0.18 R 0.12 Q 0.12 W 0.08 E 0.06 V 0.02 C Shift Assignments>> C :: 176.542(D) CA :: 56.500(D) CB :: 32.596(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 :: 8.201(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 :: 120.925(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 D 0.18 R 0.18 K 0.17 Y 0.05 C 0.05 N 0.01 G 0.01 HN Overlap>> 1.L24 1.E37 1.L24 1.E37 C Shift Assignments>> C :: 177.702(D) CA :: 55.209(D) CB :: 42.472(D) 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 :: 8.021(D) 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 :: 121.780(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.193(D) CA :: 45.407(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.242(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.193(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 R 0.19 D 0.18 K 0.17 Y 0.05 C 0.05 N 0.01 G 0.01 HN Overlap>> 1.L43 1.I39 1.L43 1.I39 1.W6 1.W6 C Shift Assignments>> C :: 177.189(D) CA :: 55.200(D) CB :: 42.500(D) 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 :: 8.052(D) 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 :: 121.292(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.36 L 0.24 N 0.13 K 0.1 Y 0.07 C 0.06 R 0.01 HN Overlap>> 1.Q44 1.Q44 C Shift Assignments>> C :: 175.888(D) CA :: 54.100(D) CB :: 41.111(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 :: 8.383(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 :: 120.706(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.86 M 0.1 C 0.02 C Shift Assignments>> C :: 178.136(D) CA :: 52.806(D) CB :: 19.413(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.162(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.209(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.995(D) CA :: 45.300(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.354(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.817(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.25 K 0.13 N 0.1 Y 0.07 C 0.06 R 0.02 HN Overlap>> 1.D31 1.D32 1.D31 1.D32 C Shift Assignments>> C :: 176.106(D) CA :: 54.292(D) CB :: 41.300(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 :: 8.161(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 :: 120.124(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 E 0.16 W 0.16 Q 0.15 C 0.14 K 0.09 M 0.08 I 0.01 C Shift Assignments>> C :: 175.905(D) CA :: 56.593(D) CB :: 30.207(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 :: 8.353(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 :: 120.411(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.42 C 0.23 I 0.15 D 0.07 L 0.05 N 0.03 E 0.01 HN Overlap>> 1.V50 1.V50 C Shift Assignments>> C :: 175.595(D) CA :: 57.794(D) CB :: 39.105(D) 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 :: 8.173(D) 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 :: 120.506(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 E 0.15 W 0.15 C 0.14 Q 0.14 M 0.1 K 0.07 HN Overlap>> 1.E26 1.E26 C Shift Assignments>> C :: 175.607(D) CA :: 56.096(D) CB :: 30.500(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 :: 8.221(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 :: 122.212(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.25 K 0.13 N 0.1 Y 0.07 C 0.05 R 0.02 HN Overlap>> 1.E61 1.E61 C Shift Assignments>> C :: 176.403(D) CA :: 54.200(D) CB :: 41.300(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 :: 8.292(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 :: 121.624(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.17 W 0.16 R 0.15 Q 0.15 C 0.14 K 0.11 M 0.06 I 0.01 C Shift Assignments>> C :: 176.457(D) CA :: 57.100(D) CB :: 29.904(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 :: 8.461(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 :: 121.995(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 0.52 D 0.18 C 0.11 Y 0.09 L 0.05 M 0.01 E 0.01 C Shift Assignments>> C :: 175.309(D) CA :: 53.600(D) CB :: 38.700(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 :: 8.484(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 :: 118.897(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 K 0.22 D 0.18 R 0.14 Y 0.07 C 0.05 N 0.01 HN Overlap>> 1.L11 1.L11 C Shift Assignments>> C :: 177.106(D) CA :: 55.592(D) CB :: 42.204(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.951(D) 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 :: 121.693(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.4 C 0.25 I 0.15 D 0.05 E 0.04 L 0.03 N 0.03 M 0.01 C Shift Assignments>> C :: 175.900(D) CA :: 57.800(D) CB :: 38.609(D) 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 :: 8.002(D) 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 :: 119.399(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.17 R 0.16 W 0.16 Q 0.15 C 0.14 K 0.1 M 0.07 I 0.01 HN Overlap>> 1.Q48 1.E20 1.Q48 1.E20 C Shift Assignments>> C :: 176.705(D) CA :: 56.800(D) CB :: 30.094(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 :: 8.131(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 :: 122.196(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.898(D) CA :: 45.407(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.073(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.413(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 R 0.22 D 0.17 K 0.14 C 0.05 Y 0.04 G 0.01 N 0.01 C Shift Assignments>> C :: 176.806(D) CA :: 55.100(D) CB :: 42.713(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.920(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.925(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.58 D 0.17 C 0.1 Y 0.07 L 0.04 C Shift Assignments>> C :: 175.196(D) CA :: 53.000(D) CB :: 38.700(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 :: 8.493(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 :: 119.713(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 K 0.22 D 0.19 R 0.13 Y 0.07 C 0.05 N 0.01 C Shift Assignments>> C :: 177.311(D) CA :: 55.500(D) CB :: 42.187(D) 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 :: 8.262(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.929(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.24 N 0.11 K 0.1 Y 0.09 C 0.06 R 0.01 HN Overlap>> 1.D17 1.D17 C Shift Assignments>> C :: 176.097(D) CA :: 54.600(D) CB :: 40.988(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 :: 8.262(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 :: 120.094(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 L 0.24 N 0.12 K 0.1 Y 0.08 C 0.06 R 0.01 HN Overlap>> 1.D17 1.D17 C Shift Assignments>> C :: 176.540(D) CA :: 54.393(D) CB :: 41.000(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 :: 8.121(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 :: 120.218(D) Ave N Shift Values>> N :: 120.65(3.86) 1.C33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 I 0.17 R 0.14 W 0.13 Q 0.1 K 0.09 E 0.08 L 0.04 C Shift Assignments>> C :: 175.200(D) CA :: 59.126(D) CB :: 27.835(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.320(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.601(D) Ave N Shift Values>> N :: 120.17(4.64) 1.S34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.863(D) CA :: 59.496(D) CB :: 63.505(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.401(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 :: 117.981(D) Ave N Shift Values>> N :: 116.28(3.52) 1.M35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.2 C 0.17 R 0.12 Q 0.11 W 0.08 E 0.06 V 0.01 HN Overlap>> 1.I39 1.Q7 1.I39 1.Q7 C Shift Assignments>> C :: 175.997(D) CA :: 56.100(D) CB :: 32.495(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.144(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.125(D) Ave N Shift Values>> N :: 120.09(3.57) 1.Y36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.41 C 0.25 I 0.17 D 0.04 E 0.03 L 0.03 N 0.02 M 0.01 C Shift Assignments>> C :: 175.903(D) CA :: 58.000(D) CB :: 38.700(D) 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 :: 7.932(D) 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 :: 119.993(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 E 0.16 W 0.16 C 0.15 Q 0.14 M 0.09 K 0.07 V 0.01 HN Overlap>> 1.L11 1.L11 C Shift Assignments>> C :: 175.992(D) CA :: 56.699(D) CB :: 30.400(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 :: 8.132(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 :: 121.798(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 L 0.24 N 0.12 K 0.1 Y 0.08 C 0.06 R 0.01 HN Overlap>> 1.Q7 1.Q7 C Shift Assignments>> C :: 177.054(D) CA :: 54.400(D) CB :: 41.000(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 :: 8.292(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 :: 121.221(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.62 C 0.19 Y 0.16 HN Overlap>> 1.L43 1.M35 1.L43 1.M35 1.Q7 1.L13 1.W6 1.Q7 1.L13 1.W6 C Shift Assignments>> C :: 177.069(D) CA :: 62.193(D) CB :: 38.500(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.093(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.215(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.253(D) CA :: 59.400(D) CB :: 63.500(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.333(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 :: 118.187(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 E 0.16 W 0.16 C 0.15 Q 0.14 M 0.09 K 0.07 V 0.01 C Shift Assignments>> C :: 177.007(D) CA :: 56.700(D) CB :: 30.400(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 :: 8.042(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 :: 122.108(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.G42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.392(D) CA :: 45.500(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.153(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.492(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 K 0.2 D 0.19 R 0.15 Y 0.06 C 0.05 N 0.02 HN Overlap>> 1.I39 1.L13 1.W6 1.I39 1.L13 1.W6 C Shift Assignments>> C :: 177.692(D) CA :: 55.300(D) CB :: 42.300(D) 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 :: 8.033(D) 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 :: 121.301(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 K 0.16 W 0.14 E 0.14 R 0.13 C 0.13 M 0.04 I 0.01 L 0.01 HN Overlap>> 1.D14 1.D14 C Shift Assignments>> C :: 176.510(D) CA :: 56.200(D) CB :: 29.300(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 :: 8.362(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 :: 120.604(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.153(D) CA :: 45.400(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.363(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.724(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.338(D) CA :: 61.800(D) CB :: 70.100(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 :: 7.963(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 :: 113.398(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Y47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.41 C 0.25 I 0.17 D 0.04 E 0.03 L 0.03 N 0.02 M 0.01 C Shift Assignments>> C :: 175.447(D) CA :: 58.000(D) CB :: 38.700(D) 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 :: 8.224(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.587(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Q48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 R 0.16 W 0.15 E 0.14 C 0.13 K 0.11 M 0.08 HN Overlap>> 1.E26 1.E26 C Shift Assignments>> C :: 174.919(D) CA :: 55.496(D) CB :: 29.900(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 :: 8.110(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 :: 122.283(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 L 0.24 N 0.12 K 0.11 Y 0.07 C 0.06 R 0.01 C Shift Assignments>> C :: 176.511(D) CA :: 54.100(D) CB :: 41.200(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 :: 8.302(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 :: 122.113(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.39 P 0.36 C 0.16 W 0.02 K 0.01 HN Overlap>> 1.Y19 1.Y19 C Shift Assignments>> C :: 176.993(D) CA :: 62.800(D) CB :: 32.300(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 :: 8.151(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 :: 120.400(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.424(D) CA :: 45.511(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.474(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.522(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.503(D) CA :: 58.395(D) CB :: 63.792(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.080(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 :: 115.391(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 R 0.19 D 0.18 K 0.17 Y 0.05 C 0.05 N 0.01 G 0.01 C Shift Assignments>> C :: 176.987(D) CA :: 55.284(D) CB :: 42.500(D) 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 :: 8.141(D) 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 :: 123.393(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.56 D 0.18 C 0.09 Y 0.07 L 0.05 C Shift Assignments>> C :: 175.193(D) CA :: 53.103(D) CB :: 38.800(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 :: 8.422(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 :: 119.807(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.56 C 0.2 Y 0.2 C Shift Assignments>> C :: 176.699(D) CA :: 61.594(D) CB :: 38.600(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.092(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.004(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.11 C 0.03 R 0.01 C Shift Assignments>> C :: 173.811(D) CA :: 45.200(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.401(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.015(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 L 0.24 N 0.12 K 0.11 Y 0.08 C 0.06 R 0.01 C Shift Assignments>> C :: 176.388(D) CA :: 54.298(D) CB :: 41.100(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 :: 8.151(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 :: 120.622(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.43 P 0.26 C 0.2 W 0.03 K 0.02 R 0.01 C Shift Assignments>> C :: 176.088(D) CA :: 62.415(D) CB :: 32.790(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 :: 8.030(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 :: 120.415(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Q59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 K 0.16 W 0.14 R 0.14 E 0.13 C 0.13 M 0.05 L 0.01 I 0.01 C Shift Assignments>> C :: 175.702(D) CA :: 55.518(D) CB :: 29.315(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 :: 8.453(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 :: 124.198(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 R 0.2 D 0.18 K 0.15 C 0.05 Y 0.05 N 0.01 G 0.01 C Shift Assignments>> C :: 177.212(D) CA :: 55.095(D) CB :: 42.595(D) 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 :: 8.233(D) 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 :: 124.008(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 E 0.16 W 0.16 Q 0.15 C 0.14 K 0.09 M 0.08 HN Overlap>> 1.D21 1.D21 C Shift Assignments>> C :: 175.855(D) CA :: 56.300(D) CB :: 30.195(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 :: 8.320(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 :: 121.699(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 C 0.18 K 0.17 R 0.12 Q 0.12 W 0.06 E 0.03 C Shift Assignments>> C :: 176.000 CA :: 53.965(D) CB :: 32.599(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 :: 8.289(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 :: 124.193(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 2 #Clerical: 61 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 61 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 63 #Suspicious: 0 C Shift Results: #Consistent: 1 #Duplicate: 175 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 60 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 60 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L2 C = 176.925(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.7381e-01 1.L2 CA = 55.394(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.1550e-01 1.L2 CB = 42.602(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.7657e-01 1.R3 C = 175.945(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.1882e-01 1.R3 CA = 56.000(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.3888e-01 1.R3 CB = 31.100(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.2698e-01 1.R3 H = 8.452(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.2818e-01 1.R3 N = 122.296(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.8436e-01 1.K4 C = 176.517(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.5096e-01 1.K4 CA = 56.194(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.3112e-01 1.K4 CB = 33.099(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.6218e-01 1.K4 H = 8.324(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.2328e-01 1.K4 N = 122.816(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.3947e-01 1.R5 C = 176.202(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.1839e-01 1.R5 CA = 56.600(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.4133e-01 1.R5 CB = 30.788(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.6165e-01 1.R5 H = 8.381(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.1720e-01 1.R5 N = 122.320(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.7957e-01 1.W6 C = 176.311(D), Expected = 176.12, Std = 2.0100, ChiSquare = 9.2430e-01 1.W6 CA = 57.313(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.9301e-01 1.W6 CB = 29.500(D), Expected = 30.01, Std = 2.0100, ChiSquare = 7.9970e-01 1.W6 H = 8.141(D), Expected = 8.29, Std = 0.7900, ChiSquare = 8.5040e-01 1.W6 N = 121.287(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.2509e-01 1.Q7 C = 175.690(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.5052e-01 1.Q7 CA = 56.500(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.7391e-01 1.Q7 CB = 29.300(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.5181e-01 1.Q7 H = 8.191(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.6080e-01 1.Q7 N = 121.203(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.1532e-01 1.N8 C = 175.403(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.4077e-01 1.N8 CA = 53.700(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.3218e-01 1.N8 CB = 38.700(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.9528e-01 1.N8 H = 8.213(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.4024e-01 1.N8 N = 118.613(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.3730e-01 1.E9 C = 176.659(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.1383e-01 1.E9 CA = 57.300(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.9236e-01 1.E9 CB = 29.899(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.4854e-01 1.E9 H = 8.411(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.9080e-01 1.E9 N = 120.998(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.2491e-01 1.K10 C = 176.542(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.6092e-01 1.K10 CA = 56.500(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.3793e-01 1.K10 CB = 32.596(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.1321e-01 1.K10 H = 8.201(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.8537e-01 1.K10 N = 120.925(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.7355e-01 1.L11 C = 177.702(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.1915e-01 1.L11 CA = 55.209(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.4699e-01 1.L11 CB = 42.472(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.3133e-01 1.L11 H = 8.021(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.4780e-01 1.L11 N = 121.780(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.8363e-01 1.G12 C = 174.193(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.6359e-01 1.G12 CA = 45.407(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6607e-01 1.G12 H = 8.242(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.9231e-01 1.G12 N = 109.193(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.0190e-01 1.L13 C = 177.189(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.1994e-01 1.L13 CA = 55.200(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.4368e-01 1.L13 CB = 42.500(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1950e-01 1.L13 H = 8.052(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.8420e-01 1.L13 N = 121.292(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.8420e-01 1.D14 C = 175.888(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.6985e-01 1.D14 CA = 54.100(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.7133e-01 1.D14 CB = 41.111(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.8661e-01 1.D14 H = 8.383(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.9984e-01 1.D14 N = 120.706(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.8842e-01 1.A15 C = 178.136(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.5251e-01 1.A15 CA = 52.806(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.6604e-01 1.A15 CB = 19.413(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.2570e-01 1.A15 H = 8.162(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.4950e-01 1.A15 N = 124.209(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.8212e-01 1.G16 C = 173.995(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.4699e-01 1.G16 CA = 45.300(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7024e-01 1.G16 H = 8.354(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.7055e-01 1.G16 N = 107.817(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.3207e-01 1.D17 C = 176.106(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.6658e-01 1.D17 CA = 54.292(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.4456e-01 1.D17 CB = 41.300(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.9544e-01 1.D17 H = 8.161(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.9726e-01 1.D17 N = 120.124(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.9161e-01 1.E18 C = 175.905(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.2069e-01 1.E18 CA = 56.593(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.2795e-01 1.E18 CB = 30.207(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.0881e-01 1.E18 H = 8.353(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.6890e-01 1.E18 N = 120.411(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.4067e-01 1.Y19 C = 175.595(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.2194e-01 1.Y19 CA = 57.794(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.9351e-01 1.Y19 CB = 39.105(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.2071e-01 1.Y19 H = 8.173(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.4041e-01 1.Y19 N = 120.506(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.9734e-01 1.E20 C = 175.607(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.1718e-01 1.E20 CA = 56.096(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.5811e-01 1.E20 CB = 30.500(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.7573e-01 1.E20 H = 8.221(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.5343e-01 1.E20 N = 122.212(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.5769e-01 1.D21 C = 176.403(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.9863e-01 1.D21 CA = 54.200(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.0926e-01 1.D21 CB = 41.300(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.9544e-01 1.D21 H = 8.292(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.7524e-01 1.D21 N = 121.624(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.0078e-01 1.E22 C = 176.457(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.3227e-01 1.E22 CA = 57.100(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.1617e-01 1.E22 CB = 29.904(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.5086e-01 1.E22 H = 8.461(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.2429e-01 1.E22 N = 121.995(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.0339e-01 1.N23 C = 175.309(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.8262e-01 1.N23 CA = 53.600(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.7454e-01 1.N23 CB = 38.700(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.9528e-01 1.N23 H = 8.484(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.1920e-01 1.N23 N = 118.897(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.9347e-01 1.L24 C = 177.106(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.5328e-01 1.L24 CA = 55.592(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.8951e-01 1.L24 CB = 42.204(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.5504e-01 1.L24 H = 7.951(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.6776e-01 1.L24 N = 121.693(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.6584e-01 1.Y25 C = 175.900(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.0162e-01 1.Y25 CA = 57.800(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.9540e-01 1.Y25 CB = 38.609(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.4203e-01 1.Y25 H = 8.002(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.6311e-01 1.Y25 N = 119.399(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.8954e-01 1.E26 C = 176.705(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.3257e-01 1.E26 CA = 56.800(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.0351e-01 1.E26 CB = 30.094(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.6105e-01 1.E26 H = 8.131(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.3590e-01 1.E26 N = 122.196(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.6102e-01 1.G27 C = 173.898(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.8812e-01 1.G27 CA = 45.407(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6607e-01 1.G27 H = 8.073(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.9256e-01 1.G27 N = 109.413(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.4705e-01 1.L28 C = 176.806(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.2596e-01 1.L28 CA = 55.100(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.0713e-01 1.L28 CB = 42.713(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.3027e-01 1.L28 H = 7.920(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.3342e-01 1.L28 N = 120.925(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.1053e-01 1.N29 C = 175.196(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.6702e-01 1.N29 CA = 53.000(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.7393e-01 1.N29 CB = 38.700(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.9528e-01 1.N29 H = 8.493(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.0812e-01 1.N29 N = 119.713(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.4595e-01 1.L30 C = 177.311(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.7121e-01 1.L30 CA = 55.500(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.5507e-01 1.L30 CB = 42.187(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.4784e-01 1.L30 H = 8.262(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.6074e-01 1.L30 N = 122.929(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8401e-01 1.D31 C = 176.097(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.6254e-01 1.D31 CA = 54.600(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.6464e-01 1.D31 CB = 40.988(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.4685e-01 1.D31 H = 8.262(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.3404e-01 1.D31 N = 120.094(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.8547e-01 1.D32 C = 176.540(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.3624e-01 1.D32 CA = 54.393(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.8368e-01 1.D32 CB = 41.000(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.4095e-01 1.D32 H = 8.121(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.4453e-01 1.D32 N = 120.218(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.1089e-01 1.C33 C = 175.200(D), Expected = 174.95, Std = 2.0700, ChiSquare = 9.0387e-01 1.C33 CA = 59.126(D), Expected = 58.30, Std = 3.3300, ChiSquare = 8.0410e-01 1.C33 CB = 27.835(D), Expected = 32.49, Std = 6.0100, ChiSquare = 4.3861e-01 1.C33 H = 8.320(D), Expected = 8.39, Std = 0.6700, ChiSquare = 9.1679e-01 1.C33 N = 119.601(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.0240e-01 1.S34 C = 174.863(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.8765e-01 1.S34 CA = 59.496(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.0775e-01 1.S34 CB = 63.505(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.4201e-01 1.S34 H = 8.401(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.3751e-01 1.S34 N = 117.981(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.2893e-01 1.M35 C = 175.997(D), Expected = 176.18, Std = 2.0900, ChiSquare = 9.3023e-01 1.M35 CA = 56.100(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.9642e-01 1.M35 CB = 32.495(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.2511e-01 1.M35 H = 8.144(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.4670e-01 1.M35 N = 121.125(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.7188e-01 1.Y36 C = 175.903(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.0045e-01 1.Y36 CA = 58.000(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.5869e-01 1.Y36 CB = 38.700(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.7408e-01 1.Y36 H = 7.932(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.9507e-01 1.Y36 N = 119.993(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.0015e-01 1.E37 C = 175.992(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.5253e-01 1.E37 CA = 56.699(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.6637e-01 1.E37 CB = 30.400(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.2062e-01 1.E37 H = 8.132(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.3718e-01 1.E37 N = 121.798(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.4583e-01 1.D38 C = 177.054(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.0862e-01 1.D38 CA = 54.400(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.8640e-01 1.D38 CB = 41.000(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.4095e-01 1.D38 H = 8.292(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.7524e-01 1.D38 N = 121.221(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.8240e-01 1.I39 C = 177.069(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.2550e-01 1.I39 CA = 62.193(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.2779e-01 1.I39 CB = 38.500(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.4869e-01 1.I39 H = 8.093(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.8332e-01 1.I39 N = 121.215(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.5435e-01 1.S40 C = 175.253(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.1286e-01 1.S40 CA = 59.400(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.4253e-01 1.S40 CB = 63.500(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.3937e-01 1.S40 H = 8.333(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.2842e-01 1.S40 N = 118.187(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.8798e-01 1.R41 C = 177.007(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.6869e-01 1.R41 CA = 56.700(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.7583e-01 1.R41 CB = 30.400(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.6978e-01 1.R41 H = 8.042(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.4549e-01 1.R41 N = 122.108(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.2226e-01 1.G42 C = 174.392(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.8127e-01 1.G42 CA = 45.500(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1087e-01 1.G42 H = 8.153(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.8539e-01 1.G42 N = 108.492(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.6083e-01 1.L43 C = 177.692(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.2293e-01 1.L43 CA = 55.300(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.8058e-01 1.L43 CB = 42.300(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.9576e-01 1.L43 H = 8.033(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.6183e-01 1.L43 N = 121.301(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.8603e-01 1.Q44 C = 176.510(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.1831e-01 1.Q44 CA = 56.200(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.6273e-01 1.Q44 CB = 29.300(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.5181e-01 1.Q44 H = 8.362(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.0980e-01 1.Q44 N = 120.604(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.4278e-01 1.G45 C = 174.153(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.8035e-01 1.G45 CA = 45.400(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7024e-01 1.G45 H = 8.363(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.5951e-01 1.G45 N = 109.724(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.8887e-01 1.T46 C = 174.338(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.0863e-01 1.T46 CA = 61.800(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.7118e-01 1.T46 CB = 70.100(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.2043e-01 1.T46 H = 7.963(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.5504e-01 1.T46 N = 113.398(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.7034e-01 1.Y47 C = 175.447(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.8116e-01 1.Y47 CA = 58.000(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.5869e-01 1.Y47 CB = 38.700(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.7408e-01 1.Y47 H = 8.224(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.9537e-01 1.Y47 N = 122.587(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.2262e-01 1.Q48 C = 174.919(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.7564e-01 1.Q48 CA = 55.496(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.1576e-01 1.Q48 CB = 29.900(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.9646e-01 1.Q48 H = 8.110(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.5210e-01 1.Q48 N = 122.283(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.0623e-01 1.D49 C = 176.511(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.4943e-01 1.D49 CA = 54.100(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.7133e-01 1.D49 CB = 41.200(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.4341e-01 1.D49 H = 8.302(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.8900e-01 1.D49 N = 122.113(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.0468e-01 1.V50 C = 176.993(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.6991e-01 1.V50 CA = 62.800(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.1369e-01 1.V50 CB = 32.300(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.1016e-01 1.V50 H = 8.151(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.3565e-01 1.V50 N = 120.400(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.7052e-01 1.G51 C = 174.424(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.6824e-01 1.G51 CA = 45.511(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.0437e-01 1.G51 H = 8.474(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.2467e-01 1.G51 N = 111.522(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.3226e-01 1.S52 C = 174.503(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.4577e-01 1.S52 CA = 58.395(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.7524e-01 1.S52 CB = 63.792(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.9569e-01 1.S52 H = 8.080(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.3462e-01 1.S52 N = 115.391(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.0061e-01 1.L53 C = 176.987(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.9879e-01 1.L53 CA = 55.284(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.7466e-01 1.L53 CB = 42.500(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1950e-01 1.L53 H = 8.141(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.9109e-01 1.L53 N = 123.393(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.9426e-01 1.N54 C = 175.193(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.6569e-01 1.N54 CA = 53.103(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.1619e-01 1.N54 CB = 38.800(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.4810e-01 1.N54 H = 8.422(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.9644e-01 1.N54 N = 119.807(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.2773e-01 1.I55 C = 176.699(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.5835e-01 1.I55 CA = 61.594(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.9524e-01 1.I55 CB = 38.600(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.8815e-01 1.I55 H = 8.092(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.8219e-01 1.I55 N = 121.004(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.1515e-01 1.G56 C = 173.811(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.7496e-01 1.G56 CA = 45.200(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1087e-01 1.G56 H = 8.401(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.1302e-01 1.G56 N = 112.015(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.4455e-01 1.D57 C = 176.388(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.9453e-01 1.D57 CA = 54.298(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.4688e-01 1.D57 CB = 41.100(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.9198e-01 1.D57 H = 8.151(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.8398e-01 1.D57 N = 120.622(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.9421e-01 1.V58 C = 176.088(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.0544e-01 1.V58 CA = 62.415(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.7908e-01 1.V58 CB = 32.790(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.7326e-01 1.V58 H = 8.030(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.9797e-01 1.V58 N = 120.415(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.7312e-01 1.Q59 C = 175.702(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.5520e-01 1.Q59 CA = 55.518(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.2301e-01 1.Q59 CB = 29.315(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.4524e-01 1.Q59 H = 8.453(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.9291e-01 1.Q59 N = 124.198(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.3144e-01 1.L60 C = 177.212(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.1073e-01 1.L60 CA = 55.095(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.0531e-01 1.L60 CB = 42.595(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.7951e-01 1.L60 H = 8.233(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.9632e-01 1.L60 N = 124.008(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.8179e-01 1.E61 C = 175.855(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.0271e-01 1.E61 CA = 56.300(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.2552e-01 1.E61 CB = 30.195(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.1435e-01 1.E61 H = 8.320(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.8648e-01 1.E61 N = 121.699(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.6747e-01 1.K62 CA = 53.965(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.7484e-01 1.K62 CB = 32.599(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.1455e-01 1.K62 H = 8.289(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.6894e-01 1.K62 N = 124.193(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.0446e-01