Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.91 M 0.07 C Shift Assignments>> C :: 177.62 CA :: 52.26 CB :: 19.47 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.32 HB1 :: 1.35 HB2 :: 1.35 HB3 :: 1.35 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 A 0.22 I 0.04 C Shift Assignments>> C :: 176.08 CA :: 55.36 CE :: 16.99 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.49 HA :: 4.45 HB2 :: 2.00 HB3 :: 2.00 HE1 :: 2.05 HE2 :: 2.05 HE3 :: 2.05 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 :: 120.72 Ave N Shift Values>> N :: 120.09(3.57) 1.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.75 CA :: 62.12 CG1 :: 21.18 CG2 :: 20.62 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 :: 8.19 HA :: 4.07 HB :: 1.99 HG11 :: 0.86 HG12 :: 0.86 HG13 :: 0.86 HG21 :: 0.87 HG22 :: 0.87 HG23 :: 0.87 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 :: 122.74 Ave N Shift Values>> N :: 121.14(4.54) 1.Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.88 E 0.11 C Shift Assignments>> C :: 175.88 CA :: 55.50 CG :: 33.40 CD :: 180.37 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 :: 8.51 HA :: 4.34 HB2 :: 1.96 HB3 :: 1.96 HG2 :: 2.30 HG3 :: 2.30 HE21 :: 7.51 HE22 :: 6.83 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 :: 124.92 NE2 :: 112.61 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.39 CA :: 61.26 CG2 :: 17.64 CD1 :: 12.95 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 :: 8.33 HA :: 4.18 HB :: 1.85 HG12 :: 1.42 HG13 :: 1.16 HG21 :: 0.94 HG22 :: 0.94 HG23 :: 0.94 HD11 :: 0.75 HD12 :: 0.75 HD13 :: 0.75 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 :: 123.17 Ave N Shift Values>> N :: 121.46(4.28) 1.S7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.13 S 0.13 F 0.12 W 0.11 E 0.08 K 0.07 R 0.06 H 0.05 Q 0.05 M 0.04 I 0.03 L 0.02 V 0.02 T 0.02 C Shift Assignments>> C :: 174.42(D) CA :: 58.45 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.52 HA :: 4.52 HB2 :: 3.88 HB3 :: 3.88 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.66 Ave N Shift Values>> N :: 116.28(3.52) 1.T8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.77(D) CA :: 62.23(D) CB :: 70.02 CG2 :: 21.87(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 :: 7.92(D) HA :: 4.33 HB :: 4.24 HG21 :: 1.15 HG22 :: 1.15 HG23 :: 1.15 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 :: 117.13(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.96 A 0.02 C Shift Assignments>> C :: 176.44(D) CA :: 54.50(D) CD1 :: 25.50(D) CD2 :: 23.80(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 :: 8.42(D) HA :: 5.07(D) HB2 :: 1.67 HB3 :: 1.67 HG :: 1.39 HD11 :: 0.86 HD12 :: 0.86 HD13 :: 0.86 HD21 :: 0.87 HD22 :: 0.87 HD23 :: 0.87 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 :: 124.72(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.11 Q 0.11 M 0.1 R 0.1 K 0.09 L 0.08 E 0.07 W 0.07 F 0.06 Y 0.05 D 0.04 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 174.06(D) CA :: 56.40(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 :: 8.79(D) HA :: 5.21(D) HB2 :: 2.84 HB3 :: 2.84 HD1 :: 7.01 HD2 :: 7.01 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.22(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> A 0.3 N 0.25 D 0.12 L 0.06 M 0.05 H 0.04 R 0.03 Q 0.02 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 175.47(D) CA :: 52.92(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 :: 9.81(D) HA :: 5.72(S) HB2 :: 2.07 HB3 :: 1.79 HG2 :: 1.91 HG3 :: 1.91 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 :: 118.86(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.88 L 0.09 M 0.01 C Shift Assignments>> C :: 180.16(D) CA :: 51.70(D) CB :: 21.14(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.00(D) HA :: 4.88(D) HB1 :: 1.86 HB2 :: 1.86 HB3 :: 1.86 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.L13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.84 A 0.14 C Shift Assignments>> C :: 175.20(D) CA :: 55.68(D) CD1 :: 25.35(D) CD2 :: 22.03(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 :: 9.56(D) HA :: 3.99(D) HB2 :: 1.39 HB3 :: 1.11 HG :: 1.39 HD11 :: 0.73 HD12 :: 0.73 HD13 :: 0.73 HD21 :: 0.67 HD22 :: 0.67 HD23 :: 0.67 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.75(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.15 A 0.12 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> C :: 173.61(D) CA :: 54.21(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 :: 7.15(D) HA :: 4.91(D) HB2 :: 3.43 HB3 :: 2.56 HD1 :: 6.79 HD2 :: 6.79 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(D) Ave N Shift Values>> N :: 120.52(4.2) 1.D15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.13 L 0.11 A 0.11 M 0.08 H 0.07 Q 0.06 R 0.05 K 0.04 W 0.04 E 0.03 F 0.02 Y 0.02 C Shift Assignments>> C :: 175.55(D) CA :: 54.35(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 :: 8.32(D) HA :: 4.77(D) HB2 :: 2.78 HB3 :: 2.59 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 :: 117.31(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> F 0.13 Y 0.12 W 0.11 S 0.09 E 0.09 K 0.07 R 0.07 H 0.06 Q 0.06 M 0.04 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 173.29(D) CA :: 58.07(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 :: 8.23(D) HA :: 4.32 HB2 :: 2.05 HB3 :: 0.56(S) HD1 :: 6.80 HD2 :: 6.80 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 :: 121.11(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.23 A 0.19 D 0.15 L 0.08 M 0.06 H 0.05 R 0.04 Q 0.04 K 0.03 W 0.02 F 0.02 E 0.01 Y 0.01 C Shift Assignments>> C :: 173.61(D) CA :: 53.66(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 :: 7.36(D) HA :: 4.23(D) HB2 :: 1.67 HB3 :: 1.59 HG2 :: 2.07 HG3 :: 2.07 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 :: 128.21(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 M 0.08 L 0.01 C Shift Assignments>> C :: 178.50(D) CA :: 52.75(D) CB :: 19.69(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.26(D) HA :: 3.90(D) HB1 :: 1.30 HB2 :: 1.30 HB3 :: 1.30 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.59(D) Ave N Shift Values>> N :: 123.23(3.54) 1.R19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.81 Y 0.1 G 0.08 C Shift Assignments>> C :: 176.77(D) CA :: 56.28(D) CD :: 43.14 CZ :: 159.53 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 :: 9.93(D) HA :: 4.38(D) HB2 :: 1.87 HB3 :: 1.87 HG2 :: 1.74 HG3 :: 1.74 HD2 :: 3.23 HD3 :: 3.23 HE :: 7.09 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 :: 121.77(D) NE :: 84.68 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.T20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.94(D) CA :: 59.58(D) CB :: 71.19 CG2 :: 21.22 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 :: 8.85(D) HA :: 4.80 HB :: 4.43 HG21 :: 1.12 HG22 :: 1.12 HG23 :: 1.12 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 :: 113.98(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.11 Y 0.11 W 0.11 E 0.09 S 0.08 K 0.08 R 0.07 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.02 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 176.88(D) CA :: 57.90(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 :: 8.73(D) HA :: 4.30 HB2 :: 2.16 HB3 :: 1.97 HG2 :: 2.30 HG3 :: 2.30 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.52(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.14 A 0.11 L 0.11 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 W 0.03 E 0.03 F 0.02 Y 0.02 C Shift Assignments>> C :: 175.76(D) CA :: 54.31(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 :: 8.11(D) HA :: 4.84(D) HB2 :: 2.75 HB3 :: 2.61 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 :: 116.55(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.31 N 0.25 D 0.12 L 0.06 M 0.04 H 0.03 R 0.03 Q 0.02 W 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 175.38(D) CA :: 52.76(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 :: 8.06(D) HA :: 5.47(D) HB2 :: 3.04 HB3 :: 3.04 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.84(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.97 A 0.01 C Shift Assignments>> C :: 176.42(D) CA :: 54.32(D) CD1 :: 25.43(D) CD2 :: 24.38(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 :: 7.86(D) HA :: 4.71(D) HB2 :: 1.74 HB3 :: 1.56 HD11 :: 0.81 HD12 :: 0.81 HD13 :: 0.81 HD21 :: 0.76 HD22 :: 0.76 HD23 :: 0.76 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.94(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.13 F 0.13 W 0.11 S 0.1 E 0.09 K 0.07 R 0.07 H 0.06 Q 0.06 M 0.04 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 173.78(D) CA :: 58.14(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.21(D) HA :: 4.84 HB2 :: 4.02 HB3 :: 3.86 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.06(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.11 Q 0.1 M 0.1 R 0.1 K 0.09 L 0.08 E 0.07 W 0.07 F 0.06 Y 0.05 D 0.04 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 173.94(D) CA :: 56.37(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 :: 8.67(D) HA :: 5.16(D) HB2 :: 3.47 HB3 :: 3.28 HD1 :: 6.95 HD2 :: 6.95 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 :: 116.19(D) Ave N Shift Values>> N :: 120.45(4.18) 1.H27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.22 A 0.18 D 0.15 L 0.09 M 0.06 H 0.05 R 0.04 Q 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.01 C Shift Assignments>> C :: 174.15(D) CA :: 53.73(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 :: 8.76(D) HA :: 5.50(D) HB2 :: 3.39 HB3 :: 3.08 HD2 :: 6.79 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.84(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 Y 0.13 F 0.12 W 0.11 E 0.08 K 0.07 R 0.06 H 0.05 Q 0.05 M 0.04 I 0.03 L 0.02 V 0.02 T 0.02 C Shift Assignments>> C :: 177.45(D) CA :: 58.48(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 :: 9.18(D) HA :: 3.56(D) HB2 :: 1.71 HB3 :: 1.71 HG2 :: 1.21 HG3 :: 1.21 HD2 :: 1.53 HD3 :: 1.53 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 :: 121.89(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.68 L 0.19 R 0.06 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.31(D) CA :: 44.78(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.21(D) HA2 :: 4.47 HA3 :: 3.76 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.60(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.13 F 0.12 S 0.12 W 0.11 E 0.08 K 0.07 R 0.06 H 0.05 Q 0.05 M 0.04 I 0.03 L 0.02 V 0.02 T 0.02 C Shift Assignments>> C :: 174.56 CA :: 58.40(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 :: 8.24(D) HA :: 3.97(D) HB2 :: 2.29 HB3 :: 2.01 HG2 :: 2.29 HG3 :: 2.29 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.38(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> D 0.17 L 0.12 M 0.09 N 0.09 H 0.07 A 0.07 Q 0.06 R 0.06 K 0.05 W 0.04 E 0.03 F 0.03 Y 0.03 C Shift Assignments>> C :: 175.78(D) CA :: 54.73(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 :: 8.13 HA :: 5.37(D) HB2 :: 1.79 HB3 :: 1.62 HG2 :: 1.34 HG3 :: 1.34 HD2 :: 1.56 HD3 :: 1.56 HE2 :: 2.92 HE3 :: 2.92 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.80 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.11 W 0.11 K 0.09 F 0.09 Y 0.09 R 0.09 H 0.08 Q 0.08 M 0.06 S 0.06 L 0.04 D 0.02 I 0.01 C Shift Assignments>> C :: 174.91(D) CA :: 57.45(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 :: 9.21(D) HA :: 5.26(D) HB2 :: 2.82 HB3 :: 2.27 HD1 :: 6.69 HD2 :: 6.69 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 :: 116.41(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Q33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.95 E 0.03 C Shift Assignments>> C :: 175.74(D) CA :: 53.63(D) CG :: 33.42 CD :: 179.59 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 :: 8.68(D) HA :: 4.91(D) HB2 :: 1.97 HB3 :: 1.97 HG2 :: 2.33 HG3 :: 2.18 HE21 :: 7.49 HE22 :: 6.85 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.50(D) NE2 :: 111.77 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 175.75(D) CA :: 60.22(D) CG2 :: 18.22(D) CD1 :: 10.33(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 :: 9.35(D) HA :: 3.98(D) HB :: 1.96 HG12 :: 1.51 HG13 :: 0.81 HG21 :: 0.33 HG22 :: 0.33 HG23 :: 0.33 HD11 :: 0.24 HD12 :: 0.24 HD13 :: 0.24 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 :: 125.17(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.85 A 0.13 C Shift Assignments>> C :: 177.50(D) CA :: 55.47(D) CD1 :: 25.59(D) CD2 :: 22.21(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 :: 9.00(D) HA :: 4.40(D) HB2 :: 1.41 HB3 :: 1.20 HD11 :: 0.69 HD12 :: 0.69 HD13 :: 0.69 HD21 :: 0.65 HD22 :: 0.65 HD23 :: 0.65 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.24(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.57 D 0.42 C Shift Assignments>> C :: 174.41(D) CA :: 53.71(D) CB :: 39.99 CG :: 177.24 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 :: 7.89(D) HA :: 4.73(D) HB2 :: 2.90 HB3 :: 2.90 HD21 :: 8.01 HD22 :: 7.06 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.25(D) ND2 :: 113.91 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> K 0.1 E 0.1 R 0.1 W 0.09 Q 0.09 H 0.09 F 0.08 Y 0.07 M 0.07 L 0.05 S 0.05 D 0.02 I 0.01 C Shift Assignments>> C :: 174.52(D) CA :: 57.11(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.88(D) HA :: 4.22 HB2 :: 2.95(S) HB3 :: 2.19(S) 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 :: 121.50(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.16 T 0.12 V 0.11 S 0.11 F 0.1 Y 0.1 W 0.08 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 P 0.01 C Shift Assignments>> C :: 175.07(D) CA :: 60.32(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.17(D) HA :: 4.28 HB2 :: 3.92 HB3 :: 3.92 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 :: 117.27(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.11 H 0.1 Q 0.09 R 0.09 K 0.08 D 0.07 W 0.06 E 0.06 F 0.05 Y 0.04 N 0.02 A 0.02 S 0.02 C Shift Assignments>> C :: 176.79(D) CA :: 55.83(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 :: 8.79(D) HA :: 4.56(D) HB2 :: 2.32 HB3 :: 2.14 HG2 :: 2.32 HG3 :: 2.32 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 :: 122.31(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 174.54 CA :: 46.04(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.27(D) HA2 :: 4.23 HA3 :: 3.96 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.58(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 D 0.11 M 0.11 H 0.09 Q 0.08 R 0.08 K 0.06 W 0.05 N 0.05 E 0.05 F 0.04 A 0.04 Y 0.03 S 0.01 C Shift Assignments>> C :: 176.19(D) CA :: 55.29 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 :: 8.57 HA :: 4.44 HB2 :: 2.54 HB3 :: 2.54 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.33 Ave N Shift Values>> N :: 120.65(3.86) 1.W42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.45 Y 0.32 H 0.15 F 0.06 C Shift Assignments>> C :: 175.09(D) CA :: 56.49(D) CD1 :: 126.47 CE2 :: 137.73 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 :: 7.90(D) HA :: 5.01(D) HB2 :: 2.97 HB3 :: 2.97 HD1 :: 7.08 HE1 :: 9.99(D) HE3 :: 7.17 HZ2 :: 7.40 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 :: 121.80(D) NE1 :: 129.27(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.W43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.72 Y 0.16 W 0.11 C Shift Assignments>> C :: 174.63(D) CA :: 53.31 CD1 :: 123.13 CE2 :: 138.00 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 :: 8.82(D) HA :: 5.30 HB2 :: 2.97 HB3 :: 2.69 HD1 :: 7.06 HE1 :: 9.70(D) HZ2 :: 7.41 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 :: 124.40(D) NE1 :: 128.08(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> D 0.15 L 0.12 M 0.1 H 0.08 N 0.07 Q 0.07 R 0.07 K 0.06 A 0.06 W 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> C :: 176.41(D) CA :: 54.95(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 :: 8.70(D) HA :: 4.25(D) HB2 :: 1.94 HB3 :: 1.43 HG2 :: 1.76 HG3 :: 1.48(S) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.31(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.86 A 0.1 I 0.03 C Shift Assignments>> C :: 172.98(D) CA :: 59.38 CB :: 37.04 CG1 :: 21.35(D) CG2 :: 18.99(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 :: 9.18(D) HA :: 5.21(D) HB :: 2.15 HG11 :: 0.61 HG12 :: 0.61 HG13 :: 0.61 HG21 :: 0.44 HG22 :: 0.44 HG23 :: 0.44 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 :: 121.20(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.82 G 0.11 Y 0.06 C Shift Assignments>> C :: 176.68(D) CA :: 53.91(D) CD :: 43.07 CZ :: 159.50 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 :: 8.85(D) HA :: 5.20(D) HB2 :: 1.73 HB3 :: 1.54 HG2 :: 1.30 HG3 :: 1.30 HD2 :: 3.14 HD3 :: 3.14 HE :: 7.02 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.50(D) NE :: 82.88 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.S47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.11 E 0.11 F 0.09 Y 0.09 K 0.09 R 0.08 H 0.07 Q 0.07 S 0.06 M 0.06 L 0.04 D 0.01 I 0.01 C Shift Assignments>> C :: 177.68(D) CA :: 57.52(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.85(D) HA :: 4.36 HB2 :: 4.07 HB3 :: 4.07 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 :: 119.73(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.97 K 0.01 A 0.01 C Shift Assignments>> C :: 178.46(D) CA :: 56.59(D) CD1 :: 25.56(D) CD2 :: 23.56(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 :: 8.86(D) HA :: 4.24(D) HB2 :: 1.63 HB3 :: 1.49 HD11 :: 0.84 HD12 :: 0.84 HD13 :: 0.84 HD21 :: 0.79 HD22 :: 0.79 HD23 :: 0.79 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 131.13(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.05(D) CA :: 65.71(D) CB :: 69.15 CG2 :: 22.22(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 :: 8.44(D) HA :: 4.17 HB :: 3.99 HG21 :: 1.25 HG22 :: 1.25 HG23 :: 1.25 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 :: 116.24(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.70(D) CA :: 61.67(D) CB :: 71.00 CG2 :: 21.63(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 :: 8.09(D) HA :: 4.48 HB :: 4.47 HG21 :: 1.27 HG22 :: 1.27 HG23 :: 1.27 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 :: 108.35(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 173.84 CA :: 45.62(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.92(D) HA2 :: 4.25 HA3 :: 3.81 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.32(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Q 0.11 H 0.11 R 0.1 K 0.1 M 0.09 E 0.08 W 0.07 L 0.07 F 0.06 Y 0.06 D 0.03 S 0.03 N 0.01 C Shift Assignments>> C :: 175.37(D) CA :: 56.60(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 :: 8.13 HA :: 4.35(D) HB2 :: 1.95 HB3 :: 1.95 HG2 :: 2.32 HG3 :: 2.13 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 :: 120.93 Ave N Shift Values>> N :: 120.67(3.48) 1.T53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.46(D) CA :: 59.28(D) CB :: 71.29 CG2 :: 21.22 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 :: 8.38(D) HA :: 5.73 HB :: 4.08 HG21 :: 1.12 HG22 :: 1.12 HG23 :: 1.12 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 :: 111.64(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 170.49 CA :: 45.28(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.39(D) HA2 :: 4.19 HA3 :: 4.05 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.95(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> E 0.11 W 0.1 K 0.09 F 0.09 R 0.09 Y 0.09 H 0.08 Q 0.08 M 0.06 S 0.06 L 0.04 D 0.02 I 0.01 C Shift Assignments>> C :: 175.91(D) CA :: 57.40(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 :: 8.56 HA :: 5.62(D) HB2 :: 2.72 HB3 :: 2.53 HD1 :: 6.89 HD2 :: 6.89 HE1 :: 6.79 HE2 :: 6.79 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 :: 119.53 Ave N Shift Values>> N :: 120.52(4.2) 1.I56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> A 0.53 I 0.46 C Shift Assignments>> CA :: 57.43(D) CG2 :: 20.31(D) CD1 :: 14.78(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 :: 8.90(D) HA :: 4.75(D) HB :: 1.30 HG12 :: 0.93 HG13 :: 0.93 HG21 :: 0.57 HG22 :: 0.57 HG23 :: 0.57 HD11 :: -0.44(S) HD12 :: -0.44(S) HD13 :: -0.44(S) 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 :: 114.68(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.22 T 0.17 V 0.16 S 0.08 F 0.07 Y 0.07 W 0.05 P 0.03 E 0.02 R 0.02 K 0.02 H 0.01 Q 0.01 C Shift Assignments>> C :: 176.70(D) CA :: 60.92(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) H Shift Assignments>> HA :: 3.92 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> T 0.26 V 0.24 I 0.22 P 0.12 F 0.03 Y 0.02 S 0.02 W 0.02 C Shift Assignments>> CA :: 62.18(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.95(D) HA :: 2.79(S) HB2 :: 1.97(S) HB3 :: 1.59(S) 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 :: 124.64(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.26 V 0.23 T 0.17 P 0.17 I 0.12 C Shift Assignments>> C :: 176.87(D) CA :: 64.91(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) H Shift Assignments>> HA :: 4.36(D) HD2 :: 3.93 HD3 :: 3.93 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Y60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.15 Y 0.12 F 0.12 W 0.1 E 0.07 I 0.06 K 0.05 R 0.05 H 0.04 V 0.04 T 0.04 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 174.16(D) CA :: 59.17(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 :: 7.66(D) HA :: 4.38(D) HB2 :: 3.32 HB3 :: 3.08 HD1 :: 7.07 HD2 :: 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 :: 115.16(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.79 A 0.2 C Shift Assignments>> C :: 176.02(D) CA :: 53.31(D) CD1 :: 25.23(D) CD2 :: 22.58(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 :: 7.66(D) HA :: 5.30 HB2 :: 1.58 HB3 :: 1.44 HG :: 1.11 HD11 :: 0.22 HD12 :: 0.22 HD13 :: 0.22 HD21 :: 0.19 HD22 :: 0.19 HD23 :: 0.19 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.99(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 L 0.08 G 0.01 C Shift Assignments>> CA :: 49.69(D) CB :: 21.65(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.01(D) HA :: 5.05(D) HB1 :: 1.38 HB2 :: 1.38 HB3 :: 1.38 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.80(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.24 T 0.21 P 0.18 I 0.17 S 0.12 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 177.07(D) CA :: 62.74(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) H Shift Assignments>> HA :: 3.58(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 175.67(D) CA :: 62.97 CG1 :: 21.38(D) CG2 :: 21.58(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 :: 7.99(D) HA :: 3.87(D) HB :: 1.88 HG11 :: 0.83 HG12 :: 0.83 HG13 :: 0.83 HG21 :: 0.78 HG22 :: 0.78 HG23 :: 0.78 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 :: 120.75(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.16 A 0.13 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> C :: 174.72(D) CA :: 54.14(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 :: 8.32(D) HA :: 4.58(D) HB2 :: 2.64 HB3 :: 2.64 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 :: 122.63(D) Ave N Shift Values>> N :: 120.65(3.86) 1.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 Y 0.11 G 0.08 C Shift Assignments>> CA :: 57.03 CD :: 43.19 CZ :: 159.53 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 :: 7.61 HA :: 4.11 HB2 :: 1.71 HB3 :: 1.55 HG2 :: 1.43 HG3 :: 1.43 HD2 :: 3.13 HD3 :: 3.13 HE :: 7.15 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 :: 124.96 NE :: 84.66 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) ########################################################################### Overall Results: #Consistent: 7 #Clerical: 53 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 65 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 66 #Suspicious: 0 C Shift Results: #Consistent: 50 #Duplicate: 132 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 312 #Duplicate: 90 #Unknown: 0 #Suspicious: 11 #Anomalous: 0 N Shift Results: #Consistent: 16 #Duplicate: 53 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S7 C = 174.42(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.0743e-01 1.T8 C = 173.77(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.6175e-01 1.T8 CA = 62.23(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.9692e-01 1.T8 CG2 = 21.87(D), Expected = 21.55, Std = 1.1100, ChiSquare = 7.7313e-01 1.T8 H = 7.92(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.0576e-01 1.T8 N = 117.13(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.1885e-01 1.L9 C = 176.44(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.8118e-01 1.L9 CA = 54.50(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.9901e-01 1.L9 CD1 = 25.50(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.2373e-01 1.L9 CD2 = 23.80(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.8309e-01 1.L9 H = 8.42(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.7005e-01 1.L9 HA = 5.07(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.1055e-01 1.L9 N = 124.72(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.6336e-01 1.F10 C = 174.06(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.9434e-01 1.F10 CA = 56.40(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.1331e-01 1.F10 H = 8.79(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.5036e-01 1.F10 HA = 5.21(D), Expected = 4.63, Std = 0.5700, ChiSquare = 3.0889e-01 1.F10 N = 121.22(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.5385e-01 1.E11 C = 175.47(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.7279e-01 1.E11 CA = 52.92(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.5268e-02 1.E11 H = 9.81(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.2125e-02 1.E11 HA = 5.72(S), Expected = 4.25, Std = 0.4100, ChiSquare = 3.3661e-04 1.E11 N = 118.86(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.0298e-01 1.A12 C = 180.16(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.5589e-01 1.A12 CA = 51.70(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.6706e-01 1.A12 CB = 21.14(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.4445e-01 1.A12 H = 9.00(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.8242e-01 1.A12 HA = 4.88(D), Expected = 4.26, Std = 0.4400, ChiSquare = 1.5881e-01 1.A12 N = 123.72(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.8991e-01 1.L13 C = 175.20(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.6597e-01 1.L13 CA = 55.68(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.7753e-01 1.L13 CD1 = 25.35(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.9194e-01 1.L13 CD2 = 22.03(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.3474e-01 1.L13 H = 9.56(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.0741e-02 1.L13 HA = 3.99(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.8260e-01 1.L13 N = 125.75(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.1855e-01 1.Y14 C = 173.61(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.6839e-01 1.Y14 CA = 54.21(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.1835e-01 1.Y14 H = 7.15(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.0899e-01 1.Y14 HA = 4.91(D), Expected = 4.63, Std = 0.5600, ChiSquare = 6.1707e-01 1.Y14 N = 111.82(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.8319e-02 1.D15 C = 175.55(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.2717e-01 1.D15 CA = 54.35(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.6699e-01 1.D15 H = 8.32(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.8624e-01 1.D15 HA = 4.77(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.7378e-01 1.D15 N = 117.31(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.8688e-01 1.Y16 C = 173.29(D), Expected = 175.40, Std = 1.9900, ChiSquare = 2.8901e-01 1.Y16 CA = 58.07(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.8093e-01 1.Y16 H = 8.23(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.0188e-01 1.Y16 HB3 = 0.56(S), Expected = 2.84, Std = 0.3900, ChiSquare = 5.0307e-09 1.Y16 N = 121.11(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.8828e-01 1.E17 C = 173.61(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.4565e-02 1.E17 CA = 53.66(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.9912e-02 1.E17 H = 7.36(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.0016e-01 1.E17 HA = 4.23(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.6109e-01 1.E17 N = 128.21(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.0260e-02 1.A18 C = 178.50(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.2124e-01 1.A18 CA = 52.75(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.4385e-01 1.A18 CB = 19.69(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.1020e-01 1.A18 H = 8.26(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.2034e-01 1.A18 HA = 3.90(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.1325e-01 1.A18 N = 126.59(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.4254e-01 1.R19 C = 176.77(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.5924e-01 1.R19 CA = 56.28(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.3201e-01 1.R19 H = 9.93(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.5972e-03 1.R19 HA = 4.38(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.6193e-01 1.R19 N = 121.77(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.9210e-01 1.T20 C = 174.94(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.2021e-01 1.T20 CA = 59.58(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.0806e-01 1.T20 H = 8.85(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.2518e-01 1.T20 N = 113.98(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.6177e-01 1.E21 C = 176.88(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.9591e-01 1.E21 CA = 57.90(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.8139e-01 1.E21 H = 8.73(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.9779e-01 1.E21 N = 118.52(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.3670e-01 1.D22 C = 175.76(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.1458e-01 1.D22 CA = 54.31(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.5151e-01 1.D22 H = 8.11(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.3022e-01 1.D22 HA = 4.84(D), Expected = 4.59, Std = 0.3200, ChiSquare = 4.3466e-01 1.D22 N = 116.55(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.8816e-01 1.D23 C = 175.38(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.5999e-01 1.D23 CA = 52.76(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.4174e-01 1.D23 H = 8.06(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.6644e-01 1.D23 HA = 5.47(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.9595e-03 1.D23 N = 119.84(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.3379e-01 1.L24 C = 176.42(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.7344e-01 1.L24 CA = 54.32(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.4164e-01 1.L24 CD1 = 25.43(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.5521e-01 1.L24 CD2 = 24.38(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.4608e-01 1.L24 H = 7.86(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.6920e-01 1.L24 HA = 4.71(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.0666e-01 1.L24 N = 119.94(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.2250e-01 1.S25 C = 173.78(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.2529e-01 1.S25 CA = 58.14(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.7933e-01 1.S25 H = 8.21(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.0556e-01 1.S25 N = 116.06(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.5016e-01 1.F26 C = 173.94(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.5705e-01 1.F26 CA = 56.37(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.0581e-01 1.F26 H = 8.67(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.6679e-01 1.F26 HA = 5.16(D), Expected = 4.63, Std = 0.5700, ChiSquare = 3.5246e-01 1.F26 N = 116.19(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.0814e-01 1.H27 C = 174.15(D), Expected = 175.25, Std = 1.9700, ChiSquare = 5.7659e-01 1.H27 CA = 53.73(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.2713e-01 1.H27 H = 8.76(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.4445e-01 1.H27 HA = 5.50(D), Expected = 4.61, Std = 0.4300, ChiSquare = 3.8474e-02 1.H27 N = 116.84(D), Expected = 119.69, Std = 4.0000, ChiSquare = 4.7616e-01 1.K28 C = 177.45(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.8548e-01 1.K28 CA = 58.48(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.8677e-01 1.K28 H = 9.18(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.8943e-02 1.K28 HA = 3.56(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.0661e-01 1.K28 N = 121.89(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.2368e-01 1.G29 C = 174.31(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.1495e-01 1.G29 CA = 44.78(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.7056e-01 1.G29 H = 9.21(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.7579e-01 1.G29 N = 115.60(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.2545e-01 1.E30 CA = 58.40(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.0533e-01 1.E30 H = 8.24(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.7876e-01 1.E30 HA = 3.97(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.9465e-01 1.E30 N = 124.38(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.8638e-01 1.K31 C = 175.78(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.6720e-01 1.K31 CA = 54.73(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.1293e-01 1.K31 HA = 5.37(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.2419e-02 1.F32 C = 174.91(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.9773e-01 1.F32 CA = 57.45(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.0635e-01 1.F32 H = 9.21(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.3778e-01 1.F32 HA = 5.26(D), Expected = 4.63, Std = 0.5700, ChiSquare = 2.6905e-01 1.F32 N = 116.41(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.3379e-01 1.Q33 C = 175.74(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.7005e-01 1.Q33 CA = 53.63(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.6949e-01 1.Q33 H = 8.68(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.3559e-01 1.Q33 HA = 4.91(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.4579e-01 1.Q33 N = 119.50(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.1373e-01 1.I34 C = 175.75(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.5846e-01 1.I34 CA = 60.22(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.0400e-01 1.I34 CG2 = 18.22(D), Expected = 17.53, Std = 1.3600, ChiSquare = 6.1191e-01 1.I34 CD1 = 10.33(D), Expected = 13.43, Std = 1.6700, ChiSquare = 6.3413e-02 1.I34 H = 9.35(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.1560e-01 1.I34 HA = 3.98(D), Expected = 4.18, Std = 0.5600, ChiSquare = 7.2098e-01 1.I34 N = 125.17(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.8604e-01 1.L35 C = 177.50(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.9673e-01 1.L35 CA = 55.47(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.4386e-01 1.L35 CD1 = 25.59(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.8426e-01 1.L35 CD2 = 22.21(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.7910e-01 1.L35 H = 9.00(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.3617e-01 1.L35 HA = 4.40(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.6484e-01 1.L35 N = 128.24(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.0186e-01 1.N36 C = 174.41(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.3091e-01 1.N36 CA = 53.71(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.2795e-01 1.N36 H = 7.89(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.7505e-01 1.N36 HA = 4.73(D), Expected = 4.67, Std = 0.3600, ChiSquare = 8.6763e-01 1.N36 N = 115.25(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.6116e-01 1.S37 C = 174.52(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.5364e-01 1.S37 CA = 57.11(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.3670e-01 1.S37 H = 8.88(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.0918e-01 1.S37 HB2 = 2.95(S), Expected = 3.88, Std = 0.2500, ChiSquare = 1.9922e-04 1.S37 HB3 = 2.19(S), Expected = 3.85, Std = 0.2700, ChiSquare = 7.8393e-10 1.S37 N = 121.50(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.3809e-01 1.S38 C = 175.07(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.9361e-01 1.S38 CA = 60.32(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.3955e-01 1.S38 H = 8.17(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.5210e-01 1.S38 N = 117.27(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.7852e-01 1.E39 C = 176.79(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.6728e-01 1.E39 CA = 55.83(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.7590e-01 1.E39 H = 8.79(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.3559e-01 1.E39 HA = 4.56(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.4959e-01 1.E39 N = 122.31(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.3745e-01 1.G40 CA = 46.04(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.0661e-01 1.G40 H = 8.27(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2645e-01 1.G40 N = 108.58(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.7821e-01 1.D41 C = 176.19(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.0448e-01 1.W42 C = 175.09(D), Expected = 176.12, Std = 2.0100, ChiSquare = 6.0834e-01 1.W42 CA = 56.49(D), Expected = 57.66, Std = 2.5800, ChiSquare = 6.5020e-01 1.W42 H = 7.90(D), Expected = 8.29, Std = 0.7900, ChiSquare = 6.2154e-01 1.W42 HA = 5.01(D), Expected = 4.68, Std = 0.5300, ChiSquare = 5.3352e-01 1.W42 HE1 = 9.99(D), Expected = 10.08, Std = 0.6600, ChiSquare = 8.9153e-01 1.W42 N = 121.80(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.7710e-01 1.W42 NE1 = 129.27(D), Expected = 129.32, Std = 2.1100, ChiSquare = 9.8109e-01 1.W43 C = 174.63(D), Expected = 176.12, Std = 2.0100, ChiSquare = 4.5852e-01 1.W43 H = 8.82(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.0229e-01 1.W43 HE1 = 9.70(D), Expected = 10.08, Std = 0.6600, ChiSquare = 5.6478e-01 1.W43 N = 124.40(D), Expected = 121.68, Std = 4.1800, ChiSquare = 5.1523e-01 1.W43 NE1 = 128.08(D), Expected = 129.32, Std = 2.1100, ChiSquare = 5.5675e-01 1.E44 C = 176.41(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.1351e-01 1.E44 CA = 54.95(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.5681e-01 1.E44 H = 8.70(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.3058e-01 1.E44 HA = 4.25(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.0000e+00 1.E44 HG3 = 1.48(S), Expected = 2.25, Std = 0.2200, ChiSquare = 4.6526e-04 1.E44 N = 124.31(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.9557e-01 1.V45 C = 172.98(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.6469e-01 1.V45 CG1 = 21.35(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.1801e-01 1.V45 CG2 = 18.99(D), Expected = 21.26, Std = 1.5600, ChiSquare = 1.4563e-01 1.V45 H = 9.18(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.8406e-01 1.V45 HA = 5.21(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.8642e-02 1.V45 N = 121.20(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.8946e-01 1.R46 C = 176.68(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.9419e-01 1.R46 CA = 53.91(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.1568e-01 1.R46 H = 8.85(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.1731e-01 1.R46 HA = 5.20(D), Expected = 4.30, Std = 0.4600, ChiSquare = 5.0404e-02 1.R46 N = 118.50(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.3197e-01 1.S47 C = 177.68(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.5228e-02 1.S47 CA = 57.52(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.6211e-01 1.S47 H = 8.85(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.3399e-01 1.S47 N = 119.73(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.2703e-01 1.L48 C = 178.46(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.5783e-01 1.L48 CA = 56.59(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.4882e-01 1.L48 CD1 = 25.56(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.9729e-01 1.L48 CD2 = 23.56(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.7317e-01 1.L48 H = 8.86(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3243e-01 1.L48 HA = 4.24(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.6484e-01 1.L48 N = 131.13(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.7458e-02 1.T49 C = 176.05(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.9092e-01 1.T49 CA = 65.71(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.7782e-01 1.T49 CG2 = 22.22(D), Expected = 21.55, Std = 1.1100, ChiSquare = 5.4611e-01 1.T49 H = 8.44(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.4701e-01 1.T49 N = 116.24(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.6294e-01 1.T50 C = 176.70(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.1972e-01 1.T50 CA = 61.67(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.3183e-01 1.T50 CG2 = 21.63(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.4254e-01 1.T50 H = 8.09(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.0883e-01 1.T50 N = 108.35(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.3664e-01 1.G51 CA = 45.62(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.4031e-01 1.G51 H = 7.92(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.2819e-01 1.G51 N = 111.32(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.6985e-01 1.E52 C = 175.37(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.4176e-01 1.E52 CA = 56.60(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.3047e-01 1.E52 HA = 4.35(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.0731e-01 1.T53 C = 174.46(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.6375e-01 1.T53 CA = 59.28(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.5632e-01 1.T53 H = 8.38(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.2135e-01 1.T53 N = 111.64(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.2615e-01 1.G54 CA = 45.28(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.5834e-01 1.G54 H = 8.39(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2645e-01 1.G54 N = 108.95(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.5241e-01 1.Y55 C = 175.91(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.9773e-01 1.Y55 CA = 57.40(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.7118e-01 1.Y55 HA = 5.62(D), Expected = 4.63, Std = 0.5600, ChiSquare = 7.7085e-02 1.I56 CA = 57.43(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.1883e-01 1.I56 CG2 = 20.31(D), Expected = 17.53, Std = 1.3600, ChiSquare = 4.0942e-02 1.I56 CD1 = 14.78(D), Expected = 13.43, Std = 1.6700, ChiSquare = 4.1887e-01 1.I56 H = 8.90(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.6189e-01 1.I56 HA = 4.75(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.0875e-01 1.I56 HD11 = -0.44(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.1243e-04 1.I56 HD12 = -0.44(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.1243e-04 1.I56 HD13 = -0.44(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.1243e-04 1.I56 N = 114.68(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.1317e-01 1.P57 C = 176.70(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.7358e-01 1.P57 CA = 60.92(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.1285e-01 1.S58 CA = 62.18(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.4623e-02 1.S58 H = 7.95(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.7594e-01 1.S58 HA = 2.79(S), Expected = 4.48, Std = 0.4000, ChiSquare = 2.3894e-05 1.S58 HB2 = 1.97(S), Expected = 3.88, Std = 0.2500, ChiSquare = 2.1722e-14 1.S58 HB3 = 1.59(S), Expected = 3.85, Std = 0.2700, ChiSquare = 5.7437e-17 1.S58 N = 124.64(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.7549e-02 1.P59 C = 176.87(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.3666e-01 1.P59 CA = 64.91(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.9858e-01 1.P59 HA = 4.36(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.0352e-01 1.Y60 C = 174.16(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.3321e-01 1.Y60 CA = 59.17(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.7862e-01 1.Y60 H = 7.66(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.6594e-01 1.Y60 HA = 4.38(D), Expected = 4.63, Std = 0.5600, ChiSquare = 6.5529e-01 1.Y60 N = 115.16(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.0189e-01 1.L61 C = 176.02(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.2421e-01 1.L61 CA = 53.31(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.7814e-01 1.L61 CD1 = 25.23(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.4840e-01 1.L61 CD2 = 22.58(D), Expected = 24.05, Std = 1.7000, ChiSquare = 3.8720e-01 1.L61 H = 7.66(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.8053e-01 1.L61 N = 118.99(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.6179e-01 1.A62 CA = 49.69(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.1434e-02 1.A62 CB = 21.65(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.4913e-01 1.A62 H = 9.01(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.7702e-01 1.A62 HA = 5.05(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.2581e-02 1.A62 N = 121.80(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.8625e-01 1.P63 C = 177.07(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.3217e-01 1.P63 CA = 62.74(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.9790e-01 1.P63 HA = 3.58(D), Expected = 4.40, Std = 0.3300, ChiSquare = 1.2961e-02 1.V64 C = 175.67(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.7901e-01 1.V64 CG1 = 21.38(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.3554e-01 1.V64 CG2 = 21.58(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.3747e-01 1.V64 H = 7.99(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.5433e-01 1.V64 HA = 3.87(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.8114e-01 1.V64 N = 120.75(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.3154e-01 1.D65 C = 174.72(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.3706e-01 1.D65 CA = 54.14(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.8644e-01 1.D65 H = 8.32(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.8624e-01 1.D65 HA = 4.58(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.7507e-01 1.D65 N = 122.63(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.0798e-01