Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.F1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.22 V 0.2 T 0.18 S 0.16 I 0.14 C 0.03 F 0.01 Y 0.01 C Shift Assignments>> C :: 176.4 CA :: 63.1(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 :: 4.57(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.T3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.22 T 0.22 V 0.21 P 0.08 C 0.07 S 0.05 F 0.03 Y 0.03 W 0.02 C Shift Assignments>> C :: 174.5 CA :: 61.9(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 :: 8.34(D) HA :: 4.30(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 :: 116.8(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.04 I 0.03 M 0.03 V 0.02 T 0.02 L 0.02 C Shift Assignments>> C :: 174.2 CA :: 58.7(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 :: 8.42(D) HA :: 4.45(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 :: 126.8(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.22 T 0.19 P 0.19 I 0.15 S 0.13 C 0.04 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 177.4 CA :: 62.9(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 :: 4.53(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) N Shift Assignments>> N :: 140.0 Ave N Shift Values>> N :: 134.16(6.62) 1.L6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.11 C 0.11 F 0.11 W 0.09 S 0.09 E 0.08 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 C Shift Assignments>> C :: 178.8 CA :: 58.2(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 :: 8.85(D) HA :: 3.82(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 :: 124.8(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.19 T 0.14 V 0.13 C 0.11 S 0.07 F 0.07 Y 0.07 W 0.05 P 0.02 E 0.02 R 0.02 K 0.02 H 0.01 Q 0.01 C Shift Assignments>> C :: 176.8 CA :: 60.8(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 :: 4.26(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 :: 111.7(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.11 Y 0.11 C 0.11 W 0.1 S 0.08 E 0.08 K 0.07 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 178.3 CA :: 58.1(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 :: 7.12(D) HA :: 4.23(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 :: 122.9(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.L9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.1 Y 0.1 W 0.1 C 0.1 E 0.08 S 0.07 K 0.07 R 0.07 H 0.06 Q 0.06 M 0.04 L 0.03 I 0.01 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 181.3 CA :: 57.9(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 :: 7.60(D) HA :: 4.07(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 :: 119.8(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>> P 0.23 V 0.2 T 0.17 S 0.17 I 0.13 C 0.03 F 0.01 Y 0.01 C Shift Assignments>> C :: 177.9 CA :: 63.2(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 :: 8.54(D) HA :: 4.12(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.2(D) Ave N Shift Values>> N :: 120.45(4.18) 1.D11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.1 Q 0.1 H 0.09 K 0.09 M 0.08 E 0.08 W 0.07 C 0.06 L 0.06 F 0.06 Y 0.06 S 0.03 D 0.03 C Shift Assignments>> C :: 178.1 CA :: 56.7 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 :: 8.36(D) HA :: 4.41(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 :: 119.3(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 L 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.06 E 0.06 W 0.06 C 0.05 F 0.04 Y 0.04 N 0.02 S 0.02 A 0.02 C Shift Assignments>> C :: 177.4 CA :: 55.9 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.32(D) HA :: 4.46(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 :: 118.3(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.15 L 0.12 M 0.09 H 0.07 N 0.07 Q 0.07 R 0.06 A 0.06 K 0.05 C 0.05 W 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> C :: 179.1 CA :: 54.9 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.67(D) HA :: 4.18(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.2(D) Ave N Shift Values>> N :: 123.23(3.54) 1.M14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.1 Q 0.1 H 0.09 K 0.09 M 0.08 E 0.08 W 0.07 C 0.06 L 0.06 F 0.06 Y 0.06 S 0.03 D 0.03 C Shift Assignments>> C :: 179.4 CA :: 56.7 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 :: 8.82(D) HA :: 4.39(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 :: 116.8(D) Ave N Shift Values>> N :: 120.09(3.57) 1.L15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.12 S 0.11 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.06 R 0.05 H 0.05 Q 0.04 M 0.03 I 0.03 L 0.02 V 0.02 T 0.01 HN Overlap>> 1.I138 1.I138 C Shift Assignments>> C :: 180.5 CA :: 58.5(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 :: 8.10(D) HA :: 4.20 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 :: 121.5(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 W 0.08 I 0.07 E 0.05 V 0.05 T 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 178.3 CA :: 59.5(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 :: 7.49(D) HA :: 4.03(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 :: 118.2(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.A17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 D 0.11 M 0.1 H 0.08 Q 0.08 R 0.07 K 0.06 C 0.05 W 0.05 N 0.05 E 0.04 F 0.04 A 0.04 Y 0.03 S 0.01 C Shift Assignments>> C :: 179.6 CA :: 55.3(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.84(D) HA :: 4.02(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.8(D) Ave N Shift Values>> N :: 123.23(3.54) 1.H18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 I 0.04 H 0.04 Q 0.04 M 0.03 V 0.03 T 0.02 L 0.01 C Shift Assignments>> C :: 177.5 CA :: 58.9(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 :: 8.99(D) HA :: 4.44 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.0(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.04 I 0.04 M 0.03 V 0.02 T 0.02 L 0.01 HN Overlap>> 1.Y111 1.Y111 C Shift Assignments>> C :: 179.4 CA :: 58.8 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 :: 8.05 HA :: 4.03 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.4 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.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.11 C 0.11 F 0.11 W 0.09 S 0.09 E 0.08 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 HN Overlap>> 1.N149 1.L93 1.F92 1.N149 1.L93 1.F92 C Shift Assignments>> CA :: 58.2 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 :: 8.23 HA :: 3.88 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.2 Ave N Shift Values>> N :: 121.86(3.9) 1.H21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 I 0.05 H 0.04 Q 0.03 V 0.03 T 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 177.9 CA :: 59.00 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> HA :: 3.83(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) 1.L23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.11 Y 0.11 C 0.11 W 0.1 S 0.08 E 0.08 K 0.07 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 HN Overlap>> 1.C189 1.C189 C Shift Assignments>> C :: 180.6 CA :: 58.1(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 :: 8.56(D) HA :: 4.20(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 :: 119.8(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.1 D 0.1 H 0.08 Q 0.08 R 0.07 K 0.06 C 0.05 W 0.05 E 0.05 N 0.04 F 0.04 Y 0.03 A 0.03 S 0.01 C Shift Assignments>> CA :: 55.4(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.64(D) HA :: 4.10(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.6(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.23 V 0.22 I 0.21 P 0.1 C 0.06 S 0.06 F 0.02 Y 0.02 W 0.02 C Shift Assignments>> C :: 177.6 CA :: 62.1(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 :: 8.42(D) HA :: 3.89(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.0(D) Ave N Shift Values>> N :: 120.45(4.18) 1.D26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.1 Q 0.09 R 0.09 L 0.09 K 0.08 E 0.06 W 0.06 C 0.06 F 0.05 D 0.05 Y 0.05 S 0.02 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.2(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 :: 9.11(D) HA :: 4.44(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 :: 119.2(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.41 T 0.23 I 0.15 S 0.1 P 0.05 C 0.03 C Shift Assignments>> CA :: 67.10 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 :: 8.60 HA :: 4.12 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 :: 116.30 Ave N Shift Values>> N :: 115.42(4.75) 1.Y28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.22 T 0.2 P 0.18 I 0.16 S 0.12 C 0.04 F 0.01 Y 0.01 W 0.01 HN Overlap>> 1.K140 1.K140 C Shift Assignments>> CA :: 62.80 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 :: 8.18 HA :: 4.17 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 :: 123.20 Ave N Shift Values>> N :: 120.52(4.2) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 C 0.13 Y 0.1 F 0.1 W 0.08 I 0.06 E 0.05 K 0.04 R 0.04 V 0.04 T 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.30 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 :: 8.13 HA :: 3.86 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.80 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E30 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable C Shift Assignments>> C :: 178.2 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>> HA :: 4.01 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) 1.F31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> I 0.22 T 0.17 V 0.16 C 0.09 S 0.05 F 0.05 Y 0.05 W 0.04 P 0.04 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 177.3 CA :: 61.2(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 :: 8.30 HA :: 4.13(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.0 Ave N Shift Values>> N :: 120.45(4.18) 1.E32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.04 I 0.04 M 0.03 V 0.02 T 0.02 L 0.01 HN Overlap>> 1.T123 1.T123 C Shift Assignments>> C :: 177.8 CA :: 58.8(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 :: 8.33(D) HA :: 3.71(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 :: 117.8(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 F 0.09 Y 0.09 C 0.09 E 0.09 K 0.08 R 0.07 S 0.06 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 HN Overlap>> 1.S79 1.T148 1.S79 1.T148 C Shift Assignments>> C :: 177.5 CA :: 57.7(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 :: 7.88(D) HA :: 3.96(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 :: 115.8(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 A 0.21 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 C 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 HN Overlap>> 1.L128 1.T60 1.L128 1.T60 C Shift Assignments>> C :: 178.9 CA :: 53.5(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.64(D) HA :: 4.05(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.5(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.12 Y 0.11 F 0.11 S 0.1 W 0.09 E 0.07 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.03 I 0.02 L 0.02 V 0.01 T 0.01 C Shift Assignments>> C :: 175.9 CA :: 58.3(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 :: 7.68(D) HA :: 4.49(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 :: 114.3(D) Ave N Shift Values>> N :: 120.52(4.2) 1.I36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> Y 0.11 C 0.11 F 0.11 W 0.09 S 0.09 E 0.08 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 HN Overlap>> 1.V96 1.V96 C Shift Assignments>> CA :: 58.2 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.44(D) HA :: 4.26 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 121.46(4.28) 1.P37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 179.4 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.11 Y 0.11 C 0.1 W 0.1 E 0.08 S 0.08 K 0.07 R 0.06 H 0.06 Q 0.05 M 0.04 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 177.6 CA :: 58.0 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>> HA :: 4.07 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) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.1 H 0.1 R 0.1 K 0.09 M 0.08 E 0.07 W 0.07 L 0.06 C 0.06 F 0.06 Y 0.05 D 0.03 S 0.03 N 0.01 C Shift Assignments>> C :: 176.5 CA :: 56.6 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 :: 8.25 HA :: 4.25 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.2 Ave N Shift Values>> N :: 120.67(3.48) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.1 Q 0.1 M 0.09 R 0.09 K 0.08 L 0.07 E 0.07 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 176.3 CA :: 56.4 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 :: 8.02 HA :: 4.27 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 :: 119.1 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.1 Y 0.1 W 0.1 C 0.1 E 0.08 S 0.07 K 0.07 R 0.07 H 0.06 Q 0.06 M 0.04 L 0.03 I 0.01 D 0.01 V 0.01 T 0.01 HN Overlap>> 1.D171 1.L113 1.D171 1.L113 C Shift Assignments>> C :: 176.8 CA :: 57.9 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.94 HA :: 4.06 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 :: 120.2 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.11 Y 0.11 C 0.11 W 0.1 S 0.08 E 0.08 K 0.07 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 HN Overlap>> 1.C53 1.C53 C Shift Assignments>> C :: 176.6 CA :: 58.1 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 :: 8.00 HA :: 4.49 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 :: 118.3 Ave N Shift Values>> N :: 120.52(4.2) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 W 0.08 I 0.07 E 0.05 V 0.05 T 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 HN Overlap>> 1.S132 1.S132 C Shift Assignments>> C :: 175.4 CA :: 59.5 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.05 HA :: 4.27 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 :: 116.4 Ave N Shift Values>> N :: 116.28(3.52) 1.F44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.04 I 0.03 M 0.03 V 0.02 T 0.02 L 0.02 C Shift Assignments>> C :: 176.1 CA :: 58.7(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.89 HA :: 4.46 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.9 Ave N Shift Values>> N :: 120.45(4.18) 1.L45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 H 0.09 D 0.08 Q 0.08 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 C Shift Assignments>> C :: 177.3 CA :: 55.6(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 :: 7.64(D) HA :: 4.14(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 :: 120.1(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.11 M 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.07 W 0.05 E 0.05 C 0.05 F 0.04 Y 0.04 N 0.02 A 0.02 S 0.02 HN Overlap>> 1.L157 1.L157 C Shift Assignments>> C :: 175.4 CA :: 55.8(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 :: 7.73(D) HA :: 4.21(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 :: 117.9(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.29 P 0.26 N 0.19 D 0.07 L 0.03 C 0.02 M 0.02 H 0.01 R 0.01 Q 0.01 W 0.01 C Shift Assignments>> CA :: 51.3(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 :: 7.91(D) HA :: 4.90(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 :: 119.0(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.28 P 0.21 V 0.18 T 0.15 I 0.11 C 0.02 C Shift Assignments>> C :: 177.2 CA :: 63.8(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 :: 4.30(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.Q49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.1 Q 0.1 M 0.09 R 0.09 K 0.08 L 0.07 E 0.07 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 176.8 CA :: 56.4(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 :: 8.26(D) HA :: 4.21(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 :: 118.6(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.23 T 0.21 I 0.16 P 0.16 S 0.11 C 0.04 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 175.0 CA :: 62.7(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 :: 7.87(D) HA :: 4.22(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 :: 112.8(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.12 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.06 R 0.05 H 0.04 Q 0.04 M 0.03 I 0.03 V 0.02 T 0.02 L 0.02 C Shift Assignments>> C :: 174.1 CA :: 58.6(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.84(D) HA :: 4.43(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.7(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 D 0.11 M 0.1 H 0.08 Q 0.08 R 0.07 K 0.06 C 0.05 W 0.05 N 0.05 E 0.04 F 0.04 A 0.04 Y 0.03 S 0.01 C Shift Assignments>> C :: 177.1 CA :: 55.3(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 :: 7.44(D) HA :: 4.37(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 :: 122.9(D) Ave N Shift Values>> N :: 121.86(3.9) 1.C53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.28 N 0.23 D 0.12 L 0.06 M 0.05 H 0.04 C 0.03 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.N152 1.Y42 1.N152 1.Y42 C Shift Assignments>> CA :: 53.1(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.03(D) HA :: 4.95(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 :: 118.4(D) Ave N Shift Values>> N :: 120.17(4.64) 1.F54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 175.6 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.E56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 K 0.09 W 0.09 R 0.09 H 0.08 Q 0.08 C 0.07 F 0.07 Y 0.07 M 0.06 S 0.04 L 0.04 D 0.02 I 0.01 C Shift Assignments>> C :: 176.2 CA :: 57.2(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 :: 7.75(D) HA :: 4.31(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 :: 121.2(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 I 0.04 H 0.04 Q 0.04 M 0.03 V 0.03 T 0.02 L 0.01 C Shift Assignments>> C :: 174.0 CA :: 58.9(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.75(D) HA :: 4.37(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 :: 113.2(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.12 S 0.11 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.06 R 0.05 H 0.05 Q 0.04 M 0.03 I 0.03 L 0.02 V 0.02 T 0.01 C Shift Assignments>> CA :: 58.5(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 :: 7.53(D) HA :: 4.33(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 :: 123.8(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P59 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 174.2 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 C 0.13 Y 0.1 F 0.1 W 0.08 I 0.06 E 0.05 K 0.04 R 0.04 V 0.04 T 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 HN Overlap>> 1.A34 1.A34 C Shift Assignments>> CA :: 59.3 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 :: 7.59 HA :: 4.60 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.4 Ave N Shift Values>> N :: 115.42(4.75) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.24 T 0.22 I 0.18 P 0.14 S 0.09 C 0.05 F 0.02 Y 0.01 W 0.01 C Shift Assignments>> CA :: 62.50 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 W 0.08 I 0.07 E 0.05 V 0.05 T 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.50 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.03 HA :: 4.46 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 :: 117.20 Ave N Shift Values>> N :: 116.28(3.52) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.33 N 0.24 D 0.1 P 0.05 L 0.05 M 0.03 C 0.03 H 0.02 R 0.02 Q 0.01 W 0.01 K 0.01 F 0.01 C Shift Assignments>> CA :: 52.00 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 :: 7.49 HA :: 4.77 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 :: 115.50 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R64 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E65 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E66 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q68 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q69 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K70 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S71 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L73 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E74 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L76 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 177.7 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.R77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.13 I 0.11 S 0.11 Y 0.09 F 0.09 T 0.08 V 0.08 W 0.07 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 C Shift Assignments>> C :: 178.8 CA :: 60.0(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 :: 8.56 HA :: 3.87 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.8 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.I78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.26 S 0.23 T 0.18 P 0.14 I 0.13 C 0.02 C Shift Assignments>> C :: 177.7 CA :: 65.5(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 :: 8.41(D) HA :: 3.63 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 :: 118.4 Ave N Shift Values>> N :: 121.46(4.28) 1.S79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.28 V 0.26 T 0.21 I 0.16 C 0.03 HN Overlap>> 1.E33 1.E33 C Shift Assignments>> C :: 174.9 CA :: 64.0(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.77(D) HA :: 4.21(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 :: 115.8(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.11 C 0.11 F 0.11 W 0.09 S 0.09 E 0.08 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 C Shift Assignments>> C :: 178.2 CA :: 58.2(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 :: 8.53(D) HA :: 3.96(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 :: 121.8(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> F 0.11 Y 0.11 C 0.1 W 0.1 E 0.08 S 0.08 K 0.07 R 0.06 H 0.06 Q 0.05 M 0.04 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 180.7 CA :: 58.0(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 :: 8.24 HA :: 4.12(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 :: 119.4 Ave N Shift Values>> N :: 121.86(3.9) 1.L82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.12 Y 0.11 F 0.11 S 0.11 W 0.09 E 0.07 K 0.06 R 0.06 H 0.05 Q 0.04 M 0.03 I 0.02 L 0.02 V 0.01 T 0.01 C Shift Assignments>> C :: 179.3 CA :: 58.4(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 :: 8.40(D) HA :: 4.37 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 :: 120.8(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.1 Q 0.1 M 0.09 R 0.09 K 0.08 L 0.07 E 0.07 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 HN Overlap>> 1.L156 1.L156 C Shift Assignments>> C :: 178.3 CA :: 56.4(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 :: 8.03(D) HA :: 3.82(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 :: 118.6(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.1 W 0.09 E 0.06 I 0.05 K 0.05 R 0.04 H 0.04 Q 0.03 V 0.03 T 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 179.5 CA :: 59.1(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 :: 9.02(D) HA :: 3.89(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 :: 116.8(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.24 T 0.19 V 0.18 C 0.08 P 0.05 F 0.04 Y 0.04 S 0.04 W 0.03 E 0.01 R 0.01 C Shift Assignments>> CA :: 61.5(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.13(D) HA :: 4.16(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.8(D) Ave N Shift Values>> N :: 116.28(3.52) 1.W86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L87 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E88 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.23 T 0.21 I 0.17 P 0.15 S 0.1 C 0.04 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> CA :: 62.60 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 :: 4.37 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.V90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> I 0.14 C 0.12 T 0.1 S 0.1 V 0.1 F 0.08 Y 0.08 W 0.07 E 0.03 K 0.02 R 0.02 H 0.02 Q 0.01 M 0.01 P 0.01 C Shift Assignments>> C :: 177.0 CA :: 60.30 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 :: 8.63 HA :: 4.45(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.20 Ave N Shift Values>> N :: 121.14(4.54) 1.Q91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.12 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.06 R 0.05 H 0.04 Q 0.04 M 0.03 I 0.03 V 0.02 T 0.02 L 0.02 C Shift Assignments>> C :: 177.4 CA :: 58.6(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 :: 8.40(D) HA :: 4.44(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 :: 116.2(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.11 C 0.11 F 0.11 W 0.09 S 0.09 E 0.08 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 HN Overlap>> 1.L20 1.N149 1.L93 1.L20 1.N149 1.L93 C Shift Assignments>> C :: 179.4 CA :: 58.2 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 :: 8.31 HA :: 4.08 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.2 Ave N Shift Values>> N :: 120.45(4.18) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.11 C 0.11 F 0.11 W 0.09 S 0.09 E 0.08 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 HN Overlap>> 1.L20 1.N149 1.L20 1.N149 1.F92 1.F92 C Shift Assignments>> C :: 178.3 CA :: 58.2 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 :: 8.23 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 :: 120.2 Ave N Shift Values>> N :: 121.86(3.9) 1.R94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 C 0.13 Y 0.1 F 0.1 W 0.08 I 0.06 E 0.05 K 0.04 R 0.04 V 0.04 T 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 HN Overlap>> 1.M170 1.M170 C Shift Assignments>> C :: 178.1 CA :: 59.3(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 :: 8.31 HA :: 4.08 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.4 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.S95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.19 T 0.14 V 0.13 C 0.11 S 0.07 F 0.07 Y 0.07 W 0.05 P 0.02 E 0.02 R 0.02 K 0.02 H 0.01 Q 0.01 C Shift Assignments>> C :: 175.8 CA :: 60.8(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.22(D) HA :: 4.32(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 :: 113.0(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.27 V 0.2 P 0.19 T 0.16 I 0.12 C 0.02 HN Overlap>> 1.I36 1.I36 C Shift Assignments>> C :: 177.1 CA :: 64.4(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 :: 7.49(D) HA :: 3.81(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 :: 120.4(D) Ave N Shift Values>> N :: 121.14(4.54) 1.F97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.04 I 0.03 M 0.03 V 0.02 T 0.02 L 0.02 C Shift Assignments>> C :: 176.5 CA :: 58.7(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.50 HA :: 4.58(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.8 Ave N Shift Values>> N :: 120.45(4.18) 1.A98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.2 A 0.16 D 0.15 L 0.08 M 0.06 H 0.05 R 0.04 Q 0.04 C 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.01 C Shift Assignments>> C :: 178.0 CA :: 53.8(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.82(D) HA :: 4.28(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.1(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N99 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.23 T 0.22 V 0.2 P 0.07 C 0.07 S 0.04 F 0.03 Y 0.03 W 0.02 HN Overlap>> 1.S150 1.T142 1.S150 1.T142 C Shift Assignments>> C :: 175.4 CA :: 61.8(S) 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 :: 8.10(D) HA :: 4.75(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 :: 115.8(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 I 0.05 H 0.04 Q 0.03 V 0.03 T 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 174.8 CA :: 59.0(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.99(D) HA :: 4.44(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 :: 115.4(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 M 0.11 H 0.09 Q 0.08 R 0.08 D 0.08 K 0.07 W 0.05 E 0.05 C 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 HN Overlap>> 1.N109 1.Y103 1.N109 1.Y103 C Shift Assignments>> C :: 177.1 CA :: 55.7 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 :: 8.17 HA :: 4.37 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 :: 123.0 Ave N Shift Values>> N :: 121.86(3.9) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.23 T 0.21 I 0.17 P 0.15 S 0.1 C 0.04 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 176.1 CA :: 62.6 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 :: 7.76 HA :: 3.96 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.7 Ave N Shift Values>> N :: 121.14(4.54) 1.Y103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.12 S 0.11 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.06 R 0.05 H 0.05 Q 0.04 M 0.03 I 0.03 L 0.02 V 0.02 T 0.01 HN Overlap>> 1.N109 1.N109 1.L101 1.L101 C Shift Assignments>> C :: 176.6 CA :: 58.5(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 :: 8.07 HA :: 4.47(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 :: 123.0 Ave N Shift Values>> N :: 120.52(4.2) 1.G104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.2 CA :: 45.4(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.12(D) HA2 :: 3.96(D) HA3 :: 3.74 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.8(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.31 N 0.24 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.02 Q 0.02 W 0.01 K 0.01 F 0.01 Y 0.01 C Shift Assignments>> C :: 177.7 CA :: 52.6(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.94(D) HA :: 4.30(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.9(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.12 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.06 R 0.05 H 0.04 Q 0.04 M 0.03 I 0.03 V 0.02 T 0.02 L 0.02 C Shift Assignments>> C :: 174.8 CA :: 58.6(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.12(D) HA :: 4.42(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.1(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 N 0.16 A 0.13 L 0.09 M 0.07 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 HN Overlap>> 1.L163 1.D153 1.L163 1.D153 C Shift Assignments>> C :: 175.6 CA :: 54.1(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 :: 8.46(D) HA :: 4.60 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 :: 120.0(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.1 W 0.09 E 0.06 I 0.05 K 0.05 R 0.04 H 0.04 Q 0.03 V 0.03 T 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 174.4 CA :: 59.1(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.10(D) HA :: 4.46 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.4(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.Y103 1.L101 1.Y103 1.L101 H Shift Assignments>> H :: 8.17 HA :: 4.18 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 :: 123.0 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable C Shift Assignments>> C :: 176.1 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>> HA :: 3.48 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) 1.Y111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.24 V 0.22 I 0.2 P 0.11 S 0.06 C 0.05 F 0.02 Y 0.02 W 0.01 HN Overlap>> 1.R19 1.R19 C Shift Assignments>> C :: 176.4 CA :: 62.2 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 :: 8.09 HA :: 3.99 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 :: 120.4 Ave N Shift Values>> N :: 120.52(4.2) 1.D112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 H 0.1 Q 0.09 L 0.09 R 0.09 K 0.08 E 0.06 W 0.06 C 0.05 D 0.05 F 0.05 Y 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 177.9 CA :: 56.1 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 :: 8.05 HA :: 4.19 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 :: 117.0 Ave N Shift Values>> N :: 120.65(3.86) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.11 C 0.11 F 0.11 W 0.09 S 0.09 E 0.08 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 HN Overlap>> 1.K41 1.K41 C Shift Assignments>> CA :: 58.2 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 :: 8.00 HA :: 4.08 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 :: 120.2 Ave N Shift Values>> N :: 121.86(3.9) 1.L114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable C Shift Assignments>> C :: 178.7 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HA :: 4.20 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.04 I 0.03 M 0.03 V 0.02 T 0.02 L 0.02 C Shift Assignments>> C :: 179.1 CA :: 58.7 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 :: 8.34 HA :: 3.87 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.7 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.11 M 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.07 W 0.05 E 0.05 C 0.05 F 0.04 Y 0.04 N 0.02 A 0.02 S 0.02 C Shift Assignments>> C :: 179.5 CA :: 55.8(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 :: 8.52 HA :: 4.43(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.7 Ave N Shift Values>> N :: 120.65(3.86) 1.L117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 E 0.09 F 0.09 C 0.09 Y 0.09 K 0.08 R 0.07 H 0.07 Q 0.06 S 0.06 M 0.05 L 0.03 D 0.01 I 0.01 C Shift Assignments>> C :: 177.6 CA :: 57.6(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 :: 8.49(D) HA :: 4.30(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 :: 123.8(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 I 0.11 S 0.11 Y 0.09 F 0.09 T 0.08 V 0.08 W 0.07 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.6 CA :: 60.0(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 :: 8.91(D) HA :: 3.67(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 :: 120.4(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.11 Y 0.11 C 0.11 W 0.1 S 0.08 E 0.08 K 0.07 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 179.5 CA :: 58.1(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 :: 8.12(D) HA :: 4.16(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 :: 117.2(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 176.4 CA :: 47.3(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.32(D) HA2 :: 3.87 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.4(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.3 S 0.2 T 0.2 I 0.14 P 0.11 C 0.02 C Shift Assignments>> C :: 181.0 CA :: 65.9(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 :: 8.85(D) HA :: 3.61(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 :: 122.6(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.12 I 0.12 S 0.11 Y 0.09 F 0.09 T 0.09 V 0.08 W 0.07 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.6 CA :: 60.1(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 :: 8.45(D) HA :: 4.00(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 :: 120.2(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.37 T 0.22 I 0.15 S 0.13 P 0.07 C 0.03 HN Overlap>> 1.E32 1.E32 C Shift Assignments>> C :: 177.0 CA :: 66.7 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 :: 8.31(D) HA :: 3.95 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 :: 117.7 Ave N Shift Values>> N :: 115.42(4.75) 1.L124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.12 S 0.11 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.06 R 0.05 H 0.05 Q 0.04 M 0.03 I 0.03 L 0.02 V 0.02 T 0.01 C Shift Assignments>> C :: 178.2 CA :: 58.5(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 :: 7.98(D) HA :: 3.62(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 :: 123.4 Ave N Shift Values>> N :: 121.86(3.9) 1.M125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.14 C 0.12 T 0.1 S 0.1 V 0.1 F 0.08 Y 0.08 W 0.07 E 0.03 K 0.02 R 0.02 H 0.02 Q 0.01 M 0.01 P 0.01 C Shift Assignments>> C :: 177.9 CA :: 60.3(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 :: 8.62(D) HA :: 3.67(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 :: 117.1(D) Ave N Shift Values>> N :: 120.09(3.57) 1.G126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 176.2 CA :: 46.9(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.81(D) HA2 :: 3.90 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.9(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.1 Q 0.09 L 0.09 R 0.09 K 0.08 E 0.06 W 0.06 C 0.05 D 0.05 F 0.05 Y 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 178.4 CA :: 56.1(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 :: 7.61(D) HA :: 4.28(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 :: 118.9(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.L128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.11 H 0.1 Q 0.09 R 0.09 L 0.09 K 0.08 E 0.06 W 0.06 C 0.06 F 0.05 D 0.05 Y 0.05 S 0.02 N 0.01 A 0.01 HN Overlap>> 1.A34 1.A34 C Shift Assignments>> C :: 177.6 CA :: 56.2(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 :: 7.73 HA :: 4.36(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 :: 119.50 Ave N Shift Values>> N :: 121.86(3.9) 1.E129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.1 Q 0.09 R 0.09 L 0.09 K 0.08 E 0.06 W 0.06 C 0.06 F 0.05 D 0.05 Y 0.05 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 175.7 CA :: 56.2(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 :: 7.81(D) HA :: 4.30(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 :: 117.8(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 A 0.21 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 C 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> C :: 175.6 CA :: 53.5(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 :: 8.13(D) HA :: 4.68(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 :: 119.0(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.8 CA :: 45.2(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.36(D) HA2 :: 4.07(D) HA3 :: 3.92 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.8(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.1 Q 0.1 M 0.09 R 0.09 K 0.08 L 0.07 E 0.07 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 HN Overlap>> 1.S43 1.S43 C Shift Assignments>> C :: 172.7 CA :: 56.4(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.02(D) HA :: 4.75(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.5(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> P 0.22 V 0.2 T 0.18 S 0.16 I 0.14 C 0.03 F 0.01 Y 0.01 C Shift Assignments>> C :: 177.0 CA :: 63.1(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 :: 4.44(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) N Shift Assignments>> N :: 137.6 Ave N Shift Values>> N :: 134.16(6.62) 1.R134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 L 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.06 E 0.06 W 0.06 C 0.05 F 0.04 Y 0.04 N 0.02 S 0.02 A 0.02 C Shift Assignments>> C :: 176.5 CA :: 55.9 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 :: 8.37(D) HA :: 4.33 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 :: 121.4(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.T135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> I 0.24 T 0.21 V 0.19 C 0.07 P 0.07 F 0.04 S 0.03 Y 0.03 W 0.02 C Shift Assignments>> C :: 175.0 CA :: 61.7(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 :: 8.01 HA :: 4.32(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 :: 114.5 Ave N Shift Values>> N :: 115.42(4.75) 1.G136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.9 CA :: 45.2(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.35(D) HA2 :: 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 :: 110.7(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 L 0.1 H 0.09 Q 0.09 R 0.08 K 0.08 E 0.06 W 0.06 D 0.06 C 0.05 F 0.05 Y 0.04 N 0.02 S 0.02 A 0.01 C Shift Assignments>> C :: 175.9 CA :: 56.0(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 :: 8.21(D) HA :: 4.23 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 :: 120.5(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.12 S 0.11 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.06 R 0.05 H 0.05 Q 0.04 M 0.03 I 0.03 L 0.02 V 0.02 T 0.01 HN Overlap>> 1.L15 1.L15 C Shift Assignments>> C :: 175.7 CA :: 58.5 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 :: 8.09 HA :: 4.09 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 :: 121.6 Ave N Shift Values>> N :: 121.46(4.28) 1.F139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.1 E 0.09 F 0.09 C 0.09 Y 0.09 K 0.08 R 0.07 H 0.07 Q 0.06 S 0.06 M 0.05 L 0.03 D 0.01 I 0.01 C Shift Assignments>> C :: 175.2 CA :: 57.6 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 :: 8.14 HA :: 4.58 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 :: 124.0 Ave N Shift Values>> N :: 120.45(4.18) 1.K140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 L 0.1 H 0.09 Q 0.09 R 0.08 K 0.08 E 0.06 W 0.06 D 0.06 C 0.05 F 0.05 Y 0.04 N 0.02 S 0.02 A 0.01 HN Overlap>> 1.Y28 1.Y28 C Shift Assignments>> C :: 175.7 CA :: 56.0 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 :: 8.10 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 :: 123.2 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 M 0.11 H 0.09 Q 0.08 R 0.08 D 0.08 K 0.07 W 0.05 E 0.05 C 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 C Shift Assignments>> C :: 175.8 CA :: 55.7 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.91 HA :: 4.28 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 :: 121.6 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 T 0.2 V 0.19 C 0.08 P 0.06 F 0.04 Y 0.04 S 0.04 W 0.03 E 0.01 HN Overlap>> 1.N99 1.S150 1.N99 1.S150 C Shift Assignments>> C :: 174.0 CA :: 61.6 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 :: 8.10 HA :: 4.26 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.8 Ave N Shift Values>> N :: 115.42(4.75) 1.Y143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.1 F 0.09 Y 0.09 C 0.09 E 0.09 K 0.08 R 0.07 S 0.06 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 C Shift Assignments>> C :: 175.7 CA :: 57.7 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 :: 8.18 HA :: 4.48 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 :: 122.4 Ave N Shift Values>> N :: 120.52(4.2) 1.S144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.12 Y 0.11 F 0.11 S 0.1 W 0.09 E 0.07 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.03 I 0.02 L 0.02 V 0.01 T 0.01 C Shift Assignments>> CA :: 58.3 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.10 HA :: 4.30 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 :: 116.8 Ave N Shift Values>> N :: 116.28(3.52) 1.K145 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.1 R 0.1 Q 0.09 H 0.09 E 0.08 W 0.08 M 0.07 C 0.07 F 0.06 Y 0.06 L 0.05 S 0.04 D 0.02 C Shift Assignments>> CA :: 56.90 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>> HA :: 4.31 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) 1.D147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.24 N 0.24 D 0.13 L 0.07 M 0.05 H 0.04 C 0.03 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> CA :: 53.30 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 HA :: 4.50 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 :: 125.20 Ave N Shift Values>> N :: 120.65(3.86) 1.T148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.23 T 0.23 I 0.18 P 0.13 S 0.08 C 0.05 F 0.02 Y 0.02 W 0.01 HN Overlap>> 1.E33 1.S150 1.E33 1.S150 C Shift Assignments>> CA :: 62.40 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 :: 7.93 HA :: 3.86 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.80 Ave N Shift Values>> N :: 115.42(4.75) 1.N149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> N 0.23 A 0.19 D 0.14 L 0.08 M 0.06 H 0.04 R 0.04 Q 0.03 C 0.03 K 0.03 W 0.02 F 0.01 E 0.01 Y 0.01 HN Overlap>> 1.L20 1.L20 1.L93 1.F92 1.L93 1.F92 C Shift Assignments>> C :: 175.3 CA :: 53.60 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 :: 8.30 HA :: 4.20(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.20 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.12 S 0.11 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.06 R 0.05 H 0.05 Q 0.04 M 0.03 I 0.03 L 0.02 V 0.02 T 0.01 HN Overlap>> 1.N99 1.N99 1.T142 1.T148 1.T142 1.T148 C Shift Assignments>> C :: 174.5 CA :: 58.5(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.02(D) HA :: 4.32(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 :: 115.8(D) Ave N Shift Values>> N :: 116.28(3.52) 1.H151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 M 0.1 H 0.09 D 0.08 Q 0.08 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 C Shift Assignments>> C :: 174.2 CA :: 55.6 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 :: 8.53 HA :: 4.63 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.6 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.27 N 0.23 D 0.12 L 0.07 M 0.05 H 0.04 C 0.03 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.C53 1.C53 C Shift Assignments>> CA :: 53.2 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 :: 8.14 HA :: 4.68 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 :: 118.4 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.17 D 0.15 A 0.14 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 C 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.02 HN Overlap>> 1.D107 1.L163 1.D107 1.L163 C Shift Assignments>> C :: 175.5 CA :: 54.0(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 :: 8.40 HA :: 4.59 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 :: 120.00 Ave N Shift Values>> N :: 120.65(3.86) 1.D154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.2 A 0.16 D 0.15 L 0.08 M 0.06 H 0.05 R 0.04 Q 0.04 C 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.01 C Shift Assignments>> C :: 175.9 CA :: 53.8(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 :: 8.30(D) HA :: 4.62(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 :: 119.0(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 L 0.11 M 0.09 N 0.08 H 0.07 Q 0.06 A 0.06 R 0.06 K 0.05 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.03 C Shift Assignments>> C :: 178.8 CA :: 54.8(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.17(D) HA :: 4.11(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.7(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.11 Y 0.11 C 0.1 W 0.1 E 0.08 S 0.08 K 0.07 R 0.06 H 0.06 Q 0.05 M 0.04 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 HN Overlap>> 1.I83 1.I83 C Shift Assignments>> C :: 178.6 CA :: 58.0(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 :: 7.98(D) HA :: 4.19(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 :: 118.6(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.1 E 0.09 R 0.09 W 0.08 Q 0.08 H 0.08 C 0.07 F 0.07 Y 0.07 M 0.06 L 0.05 S 0.04 D 0.02 HN Overlap>> 1.Q46 1.Q46 C Shift Assignments>> C :: 179.6 CA :: 57.1 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 :: 7.69(D) HA :: 4.18 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.8(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.04 I 0.03 M 0.03 V 0.02 T 0.02 L 0.02 C Shift Assignments>> CA :: 58.7 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 :: 8.02 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.6 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 L 0.1 H 0.09 Q 0.09 R 0.08 K 0.08 E 0.06 W 0.06 D 0.06 C 0.05 F 0.05 Y 0.04 N 0.02 S 0.02 A 0.01 C Shift Assignments>> CA :: 56.00 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 :: 8.25 HA :: 4.46 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 :: 119.60 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 I 0.1 W 0.08 T 0.07 V 0.07 E 0.04 K 0.03 R 0.03 H 0.03 Q 0.02 M 0.01 L 0.01 C Shift Assignments>> C :: 177.3 CA :: 59.8(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 :: 8.44 HA :: 3.97(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 :: 121.30 Ave N Shift Values>> N :: 120.52(4.2) 1.G161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 176.4 CA :: 47.4(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.18(D) HA2 :: 3.95(D) HA3 :: 3.73 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.5(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.12 Y 0.11 F 0.11 S 0.1 W 0.09 E 0.07 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.03 I 0.02 L 0.02 V 0.01 T 0.01 C Shift Assignments>> CA :: 58.3(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 :: 8.06(D) HA :: 4.09(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 :: 122.1(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.11 Y 0.11 C 0.11 W 0.1 S 0.08 E 0.08 K 0.07 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 HN Overlap>> 1.D107 1.D107 1.D153 1.D153 C Shift Assignments>> CA :: 58.10 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 :: 8.49 HA :: 4.20 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 :: 120.00 Ave N Shift Values>> N :: 121.86(3.9) 1.Y164 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C165 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F166 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R167 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K168 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D169 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.72 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) 1.M170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 L 0.1 H 0.09 Q 0.09 R 0.08 K 0.08 E 0.06 W 0.06 D 0.06 C 0.05 F 0.05 Y 0.04 N 0.02 S 0.02 A 0.01 HN Overlap>> 1.R94 1.R94 C Shift Assignments>> C :: 179.4 CA :: 56.0 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 :: 8.28 HA :: 4.45 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.50 Ave N Shift Values>> N :: 120.09(3.57) 1.D171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.1 Q 0.1 R 0.09 M 0.09 K 0.09 E 0.07 L 0.07 W 0.07 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.03 N 0.01 HN Overlap>> 1.K41 1.K41 C Shift Assignments>> C :: 178.2 CA :: 56.5(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 :: 7.84(D) HA :: 4.02(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 :: 120.2(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.1 W 0.09 E 0.06 I 0.05 K 0.05 R 0.04 H 0.04 Q 0.03 V 0.03 T 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 176.8 CA :: 59.1(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 :: 7.63(D) HA :: 3.50(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.5(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V173 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.4 V 0.33 I 0.12 S 0.07 P 0.03 C 0.02 C Shift Assignments>> C :: 177.0 CA :: 67.2(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 :: 7.90(D) HA :: 3.49(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 :: 117.6(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.13 C 0.12 S 0.1 T 0.09 V 0.09 Y 0.09 F 0.09 W 0.07 E 0.03 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.3 CA :: 60.2(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 :: 7.74(D) HA :: 3.68 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.9(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.37 T 0.22 I 0.15 S 0.13 P 0.07 C 0.03 C Shift Assignments>> C :: 175.7 CA :: 66.7(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 :: 7.84(D) HA :: 4.09(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 :: 115.2(D) Ave N Shift Values>> N :: 115.42(4.75) 1.F176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 E 0.09 F 0.09 C 0.09 Y 0.09 K 0.08 R 0.07 H 0.07 Q 0.06 S 0.06 M 0.05 L 0.03 D 0.01 I 0.01 C Shift Assignments>> C :: 178.2 CA :: 57.6(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 :: 8.14(D) HA :: 4.57(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 129.2(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.11 C 0.11 F 0.11 W 0.09 S 0.09 E 0.08 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 C Shift Assignments>> C :: 178.2 CA :: 58.2(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 :: 8.56(D) HA :: 3.97(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 :: 118.5(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.04 I 0.04 M 0.03 V 0.02 T 0.02 L 0.01 C Shift Assignments>> C :: 178.4 CA :: 58.8(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 :: 7.98(D) HA :: 4.04(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 :: 119.3(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.I179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.25 S 0.24 T 0.18 P 0.15 I 0.13 C 0.02 C Shift Assignments>> C :: 178.4 CA :: 65.3(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 :: 7.90(D) HA :: 4.36(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 :: 119.5(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.36 T 0.22 I 0.15 S 0.14 P 0.07 C 0.03 C Shift Assignments>> C :: 178.6 CA :: 66.6(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 :: 7.77(D) HA :: 3.47(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 :: 118.3(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Q181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 I 0.08 W 0.08 V 0.05 T 0.05 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 177.6 CA :: 59.6(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 :: 8.76(D) HA :: 4.42 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.9(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 F 0.09 Y 0.09 C 0.09 E 0.09 K 0.08 R 0.07 S 0.06 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 C Shift Assignments>> C :: 176.9 CA :: 57.7(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.44(D) HA :: 4.30 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.0(D) Ave N Shift Values>> N :: 120.17(4.64) 1.R183 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.11 Y 0.11 C 0.1 W 0.1 E 0.08 S 0.08 K 0.07 R 0.06 H 0.06 Q 0.05 M 0.04 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 177.9 CA :: 58.0(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 :: 7.83(D) HA :: 4.26(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 :: 116.2(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.S184 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.18 T 0.13 V 0.13 C 0.11 S 0.08 F 0.07 Y 0.07 W 0.05 E 0.02 R 0.02 K 0.02 P 0.02 H 0.01 Q 0.01 C Shift Assignments>> C :: 174.0 CA :: 60.7(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.81(D) HA :: 4.46(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 :: 113.5(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 S 0.24 T 0.18 P 0.15 I 0.13 C 0.02 C Shift Assignments>> C :: 175.7 CA :: 65.3(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 :: 7.90 HA :: 4.28 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.7 Ave N Shift Values>> N :: 121.14(4.54) 1.E186 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 K 0.09 W 0.09 R 0.09 H 0.08 Q 0.08 C 0.07 F 0.07 Y 0.07 M 0.06 S 0.04 L 0.04 D 0.02 I 0.01 C Shift Assignments>> C :: 177.0 CA :: 57.2(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 :: 8.31(D) HA :: 4.26(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.4(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G187 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 :: 174.6 CA :: 45.5(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.56(D) HA2 :: 4.05 HA3 :: 3.82 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.2(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 I 0.05 H 0.04 Q 0.03 V 0.03 T 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 175.0 CA :: 59.0 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.01(D) HA :: 4.31 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 :: 115.1(D) Ave N Shift Values>> N :: 116.28(3.52) 1.C189 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.12 M 0.1 D 0.1 H 0.08 Q 0.08 R 0.07 K 0.06 C 0.05 W 0.05 E 0.05 N 0.04 F 0.04 Y 0.03 A 0.03 S 0.01 HN Overlap>> 1.L23 1.L23 C Shift Assignments>> C :: 174.4 CA :: 55.4 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.45 HA :: 4.58(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 :: 119.8 Ave N Shift Values>> N :: 120.17(4.64) 1.G190 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.0 CA :: 45.2(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.14(D) HA2 :: 3.82 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.4(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F191 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 E 0.09 F 0.09 C 0.09 Y 0.09 K 0.08 R 0.07 H 0.07 Q 0.06 S 0.06 M 0.05 L 0.03 D 0.01 I 0.01 C Shift Assignments>> C :: 178.8 CA :: 57.6(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.73(D) HA :: 4.52 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 :: 121.9(D) Ave N Shift Values>> N :: 120.45(4.18) ########################################################################### Overall Results: #Consistent: 73 #Clerical: 117 #Suspicious: 0 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 157 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 33 Shift Relative Order (SRO) Results: #Consistent: 191 #Suspicious: 0 C Shift Results: #Consistent: 192 #Duplicate: 104 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 124 #Duplicate: 189 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 59 #Duplicate: 93 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P2 CA = 63.1(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.7973e-01 1.P2 HA = 4.57(D), Expected = 4.40, Std = 0.3300, ChiSquare = 6.0645e-01 1.T3 CA = 61.9(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.0167e-01 1.T3 H = 8.34(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.7186e-01 1.T3 HA = 4.30(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.3888e-01 1.T3 N = 116.8(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.7141e-01 1.I4 CA = 58.7(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.7756e-01 1.I4 H = 8.42(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.3688e-01 1.I4 HA = 4.45(D), Expected = 4.18, Std = 0.5600, ChiSquare = 6.2970e-01 1.I4 N = 126.8(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.1215e-01 1.P5 CA = 62.9(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.7726e-01 1.P5 HA = 4.53(D), Expected = 4.40, Std = 0.3300, ChiSquare = 6.9363e-01 1.L6 CA = 58.2(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.2579e-01 1.L6 H = 8.85(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.4016e-01 1.L6 HA = 3.82(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.8741e-01 1.L6 N = 124.8(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.5094e-01 1.S7 CA = 60.8(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.1498e-01 1.S7 H = 8.85(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.3399e-01 1.S7 HA = 4.26(D), Expected = 4.48, Std = 0.4000, ChiSquare = 5.8232e-01 1.S7 N = 111.7(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.9321e-01 1.R8 CA = 58.1(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.6478e-01 1.R8 H = 7.12(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.6348e-02 1.R8 HA = 4.23(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.7905e-01 1.R8 N = 122.9(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.6824e-01 1.L9 CA = 57.9(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8443e-01 1.L9 H = 7.60(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3243e-01 1.L9 HA = 4.07(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.9478e-01 1.L9 N = 119.8(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.9736e-01 1.F10 CA = 63.2(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.6347e-02 1.F10 H = 8.54(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.0259e-01 1.F10 HA = 4.12(D), Expected = 4.63, Std = 0.5700, ChiSquare = 3.7093e-01 1.F10 N = 118.2(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.9039e-01 1.D11 H = 8.36(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.3130e-01 1.D11 HA = 4.41(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.7378e-01 1.D11 N = 119.3(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.2653e-01 1.N12 H = 8.32(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.7467e-01 1.N12 HA = 4.46(D), Expected = 4.67, Std = 0.3600, ChiSquare = 5.5967e-01 1.N12 N = 118.3(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.7578e-01 1.A13 H = 7.67(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.7706e-01 1.A13 HA = 4.18(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.5573e-01 1.A13 N = 122.2(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.7108e-01 1.M14 H = 8.82(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.5065e-01 1.M14 HA = 4.39(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.6676e-01 1.M14 N = 116.8(D), Expected = 120.09, Std = 3.5700, ChiSquare = 3.5675e-01 1.L15 CA = 58.5(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.7634e-01 1.L15 H = 8.10(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.4148e-01 1.L15 N = 121.5(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.2645e-01 1.R16 CA = 59.5(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.3728e-01 1.R16 H = 7.49(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.1888e-01 1.R16 HA = 4.03(D), Expected = 4.30, Std = 0.4600, ChiSquare = 5.5723e-01 1.R16 N = 118.2(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.7986e-01 1.A17 CA = 55.3(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.7531e-01 1.A17 H = 8.84(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.8612e-01 1.A17 HA = 4.02(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.8544e-01 1.A17 N = 121.8(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.8625e-01 1.H18 CA = 58.9(D), Expected = 56.52, Std = 2.3100, ChiSquare = 3.0287e-01 1.H18 H = 8.99(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.7005e-01 1.H18 N = 117.0(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.0127e-01 1.Q22 HA = 3.83(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.1731e-01 1.L23 CA = 58.1(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.4429e-01 1.L23 H = 8.56(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.1167e-01 1.L23 HA = 4.20(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.9848e-01 1.L23 N = 119.8(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.9736e-01 1.A24 CA = 55.4(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.5370e-01 1.A24 H = 8.64(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.6336e-01 1.A24 HA = 4.10(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.1613e-01 1.A24 N = 123.6(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.1676e-01 1.F25 CA = 62.1(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.1777e-01 1.F25 H = 8.42(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.3359e-01 1.F25 HA = 3.89(D), Expected = 4.63, Std = 0.5700, ChiSquare = 1.9420e-01 1.F25 N = 119.0(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.2867e-01 1.D26 CA = 56.2(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.5697e-01 1.D26 H = 9.11(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.6780e-01 1.D26 HA = 4.44(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.3925e-01 1.D26 N = 119.2(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.0718e-01 1.F31 CA = 61.2(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.2474e-01 1.F31 HA = 4.13(D), Expected = 4.63, Std = 0.5700, ChiSquare = 3.8038e-01 1.E32 CA = 58.8(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.7886e-01 1.E32 H = 8.33(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.0000e+00 1.E32 HA = 3.71(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.8781e-01 1.E32 N = 117.8(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.0954e-01 1.E33 CA = 57.7(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.5573e-01 1.E33 H = 7.88(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.4564e-01 1.E33 HA = 3.96(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.7937e-01 1.E33 N = 115.8(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.6169e-01 1.A34 CA = 53.5(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.5573e-01 1.A34 H = 7.64(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.5065e-01 1.A34 HA = 4.05(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.3317e-01 1.A34 N = 119.5(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.9203e-01 1.Y35 CA = 58.3(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.4600e-01 1.Y35 H = 7.68(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.8064e-01 1.Y35 HA = 4.49(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.0259e-01 1.Y35 N = 114.3(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.3862e-01 1.I36 H = 7.44(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.1672e-01 1.F44 CA = 58.7(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.0937e-01 1.L45 CA = 55.6(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.9251e-01 1.L45 H = 7.64(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.6404e-01 1.L45 HA = 4.14(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.0174e-01 1.L45 N = 120.1(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.5179e-01 1.Q46 CA = 55.8(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.1899e-01 1.Q46 H = 7.73(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.0625e-01 1.Q46 HA = 4.21(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.9153e-01 1.Q46 N = 117.9(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.8042e-01 1.N47 CA = 51.3(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.3346e-01 1.N47 H = 7.91(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.9490e-01 1.N47 HA = 4.90(D), Expected = 4.67, Std = 0.3600, ChiSquare = 5.2290e-01 1.N47 N = 119.0(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.8614e-01 1.P48 CA = 63.8(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.5716e-01 1.P48 HA = 4.30(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.6187e-01 1.Q49 CA = 56.4(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.3668e-01 1.Q49 H = 8.26(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.4595e-01 1.Q49 HA = 4.21(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.9153e-01 1.Q49 N = 118.6(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.2009e-01 1.T50 CA = 62.7(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.5297e-01 1.T50 H = 7.87(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.5066e-01 1.T50 HA = 4.22(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.1707e-01 1.T50 N = 112.8(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.8124e-01 1.S51 CA = 58.6(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.5377e-01 1.S51 H = 7.84(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.5581e-01 1.S51 HA = 4.43(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.0052e-01 1.S51 N = 116.7(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.0502e-01 1.L52 CA = 55.3(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.8058e-01 1.L52 H = 7.44(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.2422e-01 1.L52 HA = 4.37(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.1528e-01 1.L52 N = 122.9(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8973e-01 1.C53 CA = 53.1(D), Expected = 58.30, Std = 3.3300, ChiSquare = 1.1839e-01 1.C53 H = 8.03(D), Expected = 8.39, Std = 0.6700, ChiSquare = 5.9105e-01 1.C53 HA = 4.95(D), Expected = 4.66, Std = 0.5500, ChiSquare = 5.9800e-01 1.C53 N = 118.4(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.0286e-01 1.E56 CA = 57.2(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.5421e-01 1.E56 H = 7.75(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.2558e-01 1.E56 HA = 4.31(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.8365e-01 1.E56 N = 121.2(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.7895e-01 1.S57 CA = 58.9(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.3071e-01 1.S57 H = 7.75(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.6902e-01 1.S57 HA = 4.37(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.8332e-01 1.S57 N = 113.2(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.8157e-01 1.I58 CA = 58.5(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.4587e-01 1.I58 H = 7.53(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.7005e-01 1.I58 HA = 4.33(D), Expected = 4.18, Std = 0.5600, ChiSquare = 7.8881e-01 1.I58 N = 123.8(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.8456e-01 1.R77 CA = 60.0(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.6203e-01 1.I78 CA = 65.5(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.4664e-01 1.I78 H = 8.41(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.4839e-01 1.S79 CA = 64.0(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.0750e-02 1.S79 H = 7.77(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.8736e-01 1.S79 HA = 4.21(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.9968e-01 1.S79 N = 115.8(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.9153e-01 1.L80 CA = 58.2(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.2579e-01 1.L80 H = 8.53(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.4441e-01 1.L80 HA = 3.96(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.4370e-01 1.L80 N = 121.8(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.8773e-01 1.L81 CA = 58.0(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.6384e-01 1.L81 HA = 4.12(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.7045e-01 1.L82 CA = 58.4(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9184e-01 1.L82 H = 8.40(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.9368e-01 1.L82 N = 120.8(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8578e-01 1.I83 CA = 56.4(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.1892e-02 1.I83 H = 8.03(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.1314e-01 1.I83 HA = 3.82(D), Expected = 4.18, Std = 0.5600, ChiSquare = 5.2032e-01 1.I83 N = 118.6(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.0399e-01 1.Q84 CA = 59.1(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.3711e-01 1.Q84 H = 9.02(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.7512e-01 1.Q84 HA = 3.89(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.8779e-01 1.Q84 N = 116.8(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.9071e-01 1.S85 CA = 61.5(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.7927e-01 1.S85 H = 8.13(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.9931e-01 1.S85 HA = 4.16(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.2371e-01 1.S85 N = 114.8(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.7415e-01 1.V90 HA = 4.45(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.5395e-01 1.Q91 CA = 58.6(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.4283e-01 1.Q91 H = 8.40(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.6030e-01 1.Q91 HA = 4.44(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.9923e-01 1.Q91 N = 116.2(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.0536e-01 1.R94 CA = 59.3(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.7341e-01 1.S95 CA = 60.8(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.1498e-01 1.S95 H = 8.22(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.1900e-01 1.S95 HA = 4.32(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.8916e-01 1.S95 N = 113.0(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.5143e-01 1.V96 CA = 64.4(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.0424e-01 1.V96 H = 7.49(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.3247e-01 1.V96 HA = 3.81(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.1236e-01 1.V96 N = 120.4(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.7052e-01 1.F97 CA = 58.7(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.0937e-01 1.F97 HA = 4.58(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.3010e-01 1.A98 CA = 53.8(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.3888e-01 1.A98 H = 7.82(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.2652e-01 1.A98 HA = 4.28(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.6375e-01 1.A98 N = 122.1(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.4957e-01 1.N99 Typing: Mistyped 1.N99 CA = 61.8(S), Expected = 53.54, Std = 1.8800, ChiSquare = 1.1148e-05 1.N99 H = 8.10(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.0324e-01 1.N99 HA = 4.75(D), Expected = 4.67, Std = 0.3600, ChiSquare = 8.2414e-01 1.N99 N = 115.8(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.3735e-01 1.S100 CA = 59.0(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.9240e-01 1.S100 H = 7.99(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.2305e-01 1.S100 HA = 4.44(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.2034e-01 1.S100 N = 115.4(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.0259e-01 1.Y103 CA = 58.5(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.8281e-01 1.Y103 HA = 4.47(D), Expected = 4.63, Std = 0.5600, ChiSquare = 7.7510e-01 1.G104 CA = 45.4(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7024e-01 1.G104 H = 8.12(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.4664e-01 1.G104 HA2 = 3.96(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.7844e-01 1.G104 N = 110.8(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.7029e-01 1.A105 CA = 52.6(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.8506e-01 1.A105 H = 7.94(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.6477e-01 1.A105 HA = 4.30(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.2757e-01 1.A105 N = 122.9(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.2573e-01 1.S106 CA = 58.6(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.5377e-01 1.S106 H = 8.12(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.8625e-01 1.S106 HA = 4.42(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.8076e-01 1.S106 N = 114.1(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.3571e-01 1.D107 CA = 54.1(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.7133e-01 1.D107 H = 8.46(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.9593e-01 1.D107 N = 120.0(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.6627e-01 1.S108 CA = 59.1(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.5435e-01 1.S108 H = 8.10(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.6030e-01 1.S108 N = 114.4(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.9328e-01 1.D116 CA = 55.8(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.8452e-01 1.D116 HA = 4.43(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.1707e-01 1.L117 CA = 57.6(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.5259e-01 1.L117 H = 8.49(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.8916e-01 1.L117 HA = 4.30(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.6606e-01 1.L117 N = 123.8(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.1888e-01 1.E118 CA = 60.0(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.9974e-01 1.E118 H = 8.91(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.2558e-01 1.E118 HA = 3.67(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.5718e-01 1.E118 N = 120.4(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.3816e-01 1.E119 CA = 58.1(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.0900e-01 1.E119 H = 8.12(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.2189e-01 1.E119 HA = 4.16(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.2625e-01 1.E119 N = 117.2(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.1870e-01 1.G120 CA = 47.3(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.4561e-01 1.G120 H = 8.32(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.8773e-01 1.G120 N = 109.4(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.4438e-01 1.I121 CA = 65.9(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.0943e-01 1.I121 H = 8.85(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.0190e-01 1.I121 HA = 3.61(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.0875e-01 1.I121 N = 122.6(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.8997e-01 1.Q122 CA = 60.1(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.9039e-02 1.Q122 H = 8.45(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.9666e-01 1.Q122 HA = 4.00(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.3946e-01 1.Q122 N = 120.2(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.3138e-01 1.T123 H = 8.31(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.1011e-01 1.L124 CA = 58.5(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.7634e-01 1.L124 H = 7.98(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.0052e-01 1.L124 HA = 3.62(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.3639e-01 1.M125 CA = 60.3(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.0255e-02 1.M125 H = 8.62(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.4851e-01 1.M125 HA = 3.67(D), Expected = 4.41, Std = 0.4800, ChiSquare = 1.2315e-01 1.M125 N = 117.1(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.0229e-01 1.G126 CA = 46.9(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.4739e-01 1.G126 H = 7.81(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.2371e-01 1.G126 N = 103.9(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.3597e-01 1.R127 CA = 56.1(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.7178e-01 1.R127 H = 7.61(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.0170e-01 1.R127 HA = 4.28(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.6532e-01 1.R127 N = 118.9(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.0564e-01 1.L128 CA = 56.2(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.8539e-01 1.L128 HA = 4.36(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.3218e-01 1.E129 CA = 56.2(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.9204e-01 1.E129 H = 7.81(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.7813e-01 1.E129 HA = 4.30(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.0294e-01 1.E129 N = 117.8(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.0954e-01 1.D130 CA = 53.5(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.5774e-01 1.D130 H = 8.13(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.5630e-01 1.D130 HA = 4.68(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.7852e-01 1.D130 N = 119.0(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.6904e-01 1.G131 CA = 45.2(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1087e-01 1.G131 H = 8.36(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.6319e-01 1.G131 HA2 = 4.07(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.8695e-01 1.G131 N = 108.8(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.2213e-01 1.S132 CA = 56.4(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.6238e-01 1.S132 H = 8.02(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.5945e-01 1.S132 HA = 4.75(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.9968e-01 1.S132 N = 116.5(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.5016e-01 1.P133 CA = 63.1(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.7973e-01 1.P133 HA = 4.44(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.0352e-01 1.R134 H = 8.37(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.3124e-01 1.R134 N = 121.4(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.7048e-01 1.T135 CA = 61.7(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.4088e-01 1.T135 HA = 4.32(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.7054e-01 1.G136 CA = 45.2(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1087e-01 1.G136 H = 8.35(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.7545e-01 1.G136 N = 110.7(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.9012e-01 1.Q137 CA = 56.0(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.8997e-01 1.Q137 H = 8.21(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.8648e-01 1.Q137 N = 120.5(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.6545e-01 1.N149 HA = 4.20(D), Expected = 4.67, Std = 0.3600, ChiSquare = 1.9170e-01 1.S150 CA = 58.5(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.1536e-01 1.S150 H = 8.02(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.5945e-01 1.S150 HA = 4.32(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.8916e-01 1.S150 N = 115.8(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.9153e-01 1.D153 CA = 54.0(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.3393e-01 1.D154 CA = 53.8(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.6108e-01 1.D154 H = 8.30(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.8624e-01 1.D154 HA = 4.62(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.2531e-01 1.D154 N = 119.0(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.6904e-01 1.A155 CA = 54.8(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.0182e-01 1.A155 H = 8.17(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6012e-01 1.A155 HA = 4.11(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.3317e-01 1.A155 N = 124.7(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.7796e-01 1.L156 CA = 58.0(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.6384e-01 1.L156 H = 7.98(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.0052e-01 1.L156 HA = 4.19(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.8209e-01 1.L156 N = 118.6(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.0321e-01 1.L157 H = 7.69(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.0610e-01 1.L157 N = 117.8(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.9786e-01 1.Y160 CA = 59.8(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.0583e-01 1.Y160 HA = 3.97(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.3857e-01 1.G161 CA = 47.4(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.2605e-01 1.G161 H = 8.18(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.1749e-01 1.G161 HA2 = 3.95(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.5689e-01 1.G161 N = 105.5(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.8125e-01 1.L162 CA = 58.3(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.0831e-01 1.L162 H = 8.06(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.9368e-01 1.L162 HA = 4.09(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.2459e-01 1.L162 N = 122.1(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.5093e-01 1.D171 CA = 56.5(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.7259e-01 1.D171 H = 7.84(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.1774e-01 1.D171 HA = 4.02(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.4872e-02 1.D171 N = 120.2(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.0719e-01 1.K172 CA = 59.1(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.2843e-01 1.K172 H = 7.63(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.5065e-01 1.K172 HA = 3.50(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.0118e-02 1.K172 N = 121.5(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.0499e-01 1.V173 CA = 67.2(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.9588e-02 1.V173 H = 7.90(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.6051e-01 1.V173 HA = 3.49(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.2747e-01 1.V173 N = 117.6(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.3555e-01 1.E174 CA = 60.2(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.6821e-01 1.E174 H = 7.74(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.1731e-01 1.E174 N = 116.9(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.7866e-01 1.T175 CA = 66.7(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.3679e-02 1.T175 H = 7.84(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.1882e-01 1.T175 HA = 4.09(D), Expected = 4.46, Std = 0.4800, ChiSquare = 4.4081e-01 1.T175 N = 115.2(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.6306e-01 1.F176 CA = 57.6(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.5184e-01 1.F176 H = 8.14(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.5994e-01 1.F176 HA = 4.57(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.1617e-01 1.F176 N = 129.2(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.6322e-02 1.L177 CA = 58.2(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.2579e-01 1.L177 H = 8.56(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.1167e-01 1.L177 HA = 3.97(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.5646e-01 1.L177 N = 118.5(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.8894e-01 1.R178 CA = 58.8(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.7952e-01 1.R178 H = 7.98(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.6994e-01 1.R178 HA = 4.04(D), Expected = 4.30, Std = 0.4600, ChiSquare = 5.7193e-01 1.R178 N = 119.3(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.8356e-01 1.I179 CA = 65.3(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.6855e-01 1.I179 H = 7.90(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.7628e-01 1.I179 HA = 4.36(D), Expected = 4.18, Std = 0.5600, ChiSquare = 7.4789e-01 1.I179 N = 119.5(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.4699e-01 1.V180 CA = 66.6(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.5070e-01 1.V180 H = 7.77(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.3768e-01 1.V180 HA = 3.47(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.1447e-01 1.V180 N = 118.3(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.3161e-01 1.Q181 CA = 59.6(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.5681e-01 1.Q181 H = 8.76(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.6006e-01 1.Q181 N = 123.9(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.6533e-01 1.C182 CA = 57.7(D), Expected = 58.30, Std = 3.3300, ChiSquare = 8.5701e-01 1.C182 H = 8.44(D), Expected = 8.39, Std = 0.6700, ChiSquare = 9.4051e-01 1.C182 N = 116.0(D), Expected = 120.17, Std = 4.6400, ChiSquare = 3.6881e-01 1.R183 CA = 58.0(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.9440e-01 1.R183 H = 7.83(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.0150e-01 1.R183 HA = 4.26(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.3071e-01 1.R183 N = 116.2(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.1130e-01 1.S184 CA = 60.7(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.3881e-01 1.S184 H = 7.81(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.2568e-01 1.S184 HA = 4.46(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.6012e-01 1.S184 N = 113.5(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.2966e-01 1.V185 CA = 65.3(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.2585e-01 1.E186 CA = 57.2(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.5421e-01 1.E186 H = 8.31(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7296e-01 1.E186 HA = 4.26(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.8054e-01 1.E186 N = 124.4(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.8379e-01 1.G187 CA = 45.5(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1087e-01 1.G187 H = 8.56(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.2345e-01 1.G187 N = 111.2(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.9259e-01 1.S188 H = 8.01(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.4722e-01 1.S188 N = 115.1(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.3745e-01 1.C189 HA = 4.58(D), Expected = 4.66, Std = 0.5500, ChiSquare = 8.8435e-01 1.G190 CA = 45.2(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1087e-01 1.G190 H = 8.14(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.7005e-01 1.G190 N = 109.4(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.4438e-01 1.F191 CA = 57.6(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.5184e-01 1.F191 H = 7.73(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.8157e-01 1.F191 N = 121.9(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.2867e-01