Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> H 0.18 Q 0.18 R 0.14 K 0.14 W 0.13 E 0.12 M 0.06 L 0.01 C Shift Assignments>> CA :: 54.9 CB :: 29.5 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) 1.V3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.41 K 0.14 Q 0.09 M 0.07 W 0.07 R 0.05 P 0.04 H 0.03 E 0.02 I 0.01 HN Overlap>> 1.L349 1.L349 1.R243 1.R243 C Shift Assignments>> CA :: 60.5 CB :: 33.4 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 :: 8.25(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 :: 123.5(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.A55 1.A55 1.E326 1.R73 1.E247 1.E326 1.R73 1.E247 C Shift Assignments>> CA :: 56.5 CB :: 64.3 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.59(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 :: 121.9(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.43 P 0.21 W 0.1 K 0.06 R 0.05 H 0.03 E 0.03 M 0.02 I 0.01 Q 0.01 HN Overlap>> 1.A407 1.A407 C Shift Assignments>> CA :: 61.4 CB :: 32.1 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>> H :: 8.72(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 :: 126.1(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.31 K 0.18 Q 0.15 H 0.12 R 0.11 W 0.06 E 0.03 HN Overlap>> 1.A362 1.A362 C Shift Assignments>> CA :: 53.6 CB :: 32.8 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.79(D) 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 :: 126.7(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 62.2 CB :: 69.1 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 :: 8.62(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 :: 119.1(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.58 T 0.41 C Shift Assignments>> CA :: 59.8 CB :: 66.6 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 :: 7.58(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 :: 118.2(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.19 Q 0.17 R 0.15 W 0.13 K 0.12 E 0.11 M 0.08 HN Overlap>> 1.V345 1.V345 1.R145 1.R145 C Shift Assignments>> CA :: 54.2 CB :: 29.7 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 :: 8.11(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.0(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.7 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.95(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.5(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.37 D 0.21 Y 0.15 F 0.14 L 0.07 I 0.01 C Shift Assignments>> CA :: 54.5 CB :: 39.0 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 :: 8.90(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 :: 129.9(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.09 R 0.01 C Shift Assignments>> CA :: 45.3 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.43(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.6(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.31 M 0.25 Q 0.11 K 0.1 H 0.07 R 0.06 W 0.03 E 0.01 HN Overlap>> 1.D363 1.D363 C Shift Assignments>> CA :: 51.8 CB :: 33.1 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 :: 8.81(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 :: 125.1(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.R14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.28 K 0.18 H 0.14 R 0.14 Q 0.1 W 0.08 E 0.04 HN Overlap>> 1.V346 1.Q340 1.V346 1.Q340 C Shift Assignments>> CA :: 54.0 CB :: 32.4 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 :: 8.58(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 :: 121.1(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.V15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.21 Q 0.19 V 0.18 M 0.15 W 0.06 R 0.06 H 0.05 E 0.03 I 0.01 Y 0.01 C Shift Assignments>> CA :: 59.2 CB :: 33.7 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.23(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 :: 127.7(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 62.2 CB :: 69.4 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 :: 8.86(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 :: 125.8(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.35 Y 0.31 I 0.19 L 0.05 K 0.05 D 0.02 C Shift Assignments>> CA :: 59.4 CB :: 40.5 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 :: 8.61(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 :: 130.1(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.K146 1.M374 1.K146 1.M374 1.E114 1.E114 C Shift Assignments>> CA :: 60.7 CB :: 70.4 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.23(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 :: 122.1(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.34 I 0.23 L 0.03 D 0.02 C Shift Assignments>> CA :: 59.1 CB :: 39.4 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.78(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 :: 128.0(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.84 M 0.14 C Shift Assignments>> CA :: 51.9 CB :: 18.2 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.43(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.5(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.61 A 0.34 I 0.03 C Shift Assignments>> CA :: 55.1 CB :: 17.7 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.26(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.9(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.27 D 0.17 L 0.11 N 0.08 I 0.05 HN Overlap>> 1.S171 1.S171 C Shift Assignments>> CA :: 56.5 CB :: 39.6 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 :: 8.82(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 :: 115.8(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.D77 1.S72 1.D77 1.S72 C Shift Assignments>> CA :: 60.8 CB :: 62.1 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.52(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 :: 116.9(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.85 Y 0.05 V 0.04 F 0.03 C Shift Assignments>> CA :: 64.4 CB :: 37.4 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 :: 7.27(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 :: 123.2(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 Y 0.11 F 0.11 I 0.11 W 0.09 T 0.08 V 0.08 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 HN Overlap>> 1.E393 1.E393 C Shift Assignments>> CA :: 59.8 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 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.5 Ave N Shift Values>> N :: 120.67(3.48) 1.T26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 65.9 CB :: 68.4 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.16(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.9(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A27 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.23 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.7 Ave N Shift Values>> N :: 123.23(3.54) 1.V28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.3 S 0.21 T 0.2 I 0.14 P 0.12 HN Overlap>> 1.E339 1.L350 1.E339 1.L350 C Shift Assignments>> CA :: 65.8 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 :: 8.57(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.K29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.2 E 0.13 R 0.13 V 0.13 H 0.11 K 0.08 Q 0.06 M 0.06 I 0.03 P 0.01 HN Overlap>> 1.E292 1.E292 1.R356 1.R356 C Shift Assignments>> CA :: 59.8 CB :: 31.0 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 :: 8.03(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 :: 119.6(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S376 1.S376 C Shift Assignments>> CA :: 60.9 CB :: 62.0 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.79(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 :: 113.1(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.22 Q 0.15 L 0.14 W 0.11 K 0.1 H 0.1 E 0.08 I 0.05 M 0.01 C Shift Assignments>> CA :: 57.0 CB :: 27.6 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 :: 7.76(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.7(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.11 W 0.1 K 0.1 R 0.09 F 0.08 Y 0.08 H 0.08 Q 0.08 M 0.06 S 0.05 L 0.05 D 0.02 I 0.01 C Shift Assignments>> CA :: 57.3 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 :: 8.51(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 :: 121.6(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.31 T 0.21 S 0.19 I 0.14 P 0.11 HN Overlap>> 1.R283 1.R283 C Shift Assignments>> CA :: 66.0 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 :: 7.53(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.2(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.24 N 0.23 Y 0.19 F 0.13 M 0.09 D 0.03 I 0.02 K 0.02 L 0.01 C Shift Assignments>> CA :: 55.4 CB :: 37.2 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 :: 7.15(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 :: 118.8(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V35 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.35(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 :: 122.5(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.56 M 0.41 I 0.01 HN Overlap>> 1.L248 1.L248 C Shift Assignments>> CA :: 53.8 CB :: 17.7 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.17(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.2(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K37 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.26(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 :: 115.1(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.68 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 :: 115.7 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.41 P 0.31 W 0.09 R 0.03 K 0.03 I 0.02 E 0.02 H 0.02 M 0.01 HN Overlap>> 1.Q320 1.Q320 C Shift Assignments>> CA :: 61.9 CB :: 31.7 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 :: 7.60 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 Ave N Shift Values>> N :: 121.14(4.54) 1.R40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.19 R 0.17 Q 0.16 W 0.14 E 0.12 M 0.09 K 0.09 HN Overlap>> 1.E373 1.E373 C Shift Assignments>> CA :: 54.9 CB :: 30.1 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 :: 8.26(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 :: 124.9(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.I41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.33 I 0.25 L 0.02 D 0.01 C Shift Assignments>> CA :: 59.3 CB :: 39.4 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 :: 7.97(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 :: 124.7(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.26 F 0.2 Y 0.18 N 0.17 L 0.14 I 0.02 K 0.01 HN Overlap>> 1.E131 1.E131 C Shift Assignments>> CA :: 55.4 CB :: 39.8 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 :: 8.47(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 :: 125.7(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.31 L 0.3 R 0.25 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> CA :: 44.1 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.34(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.6(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 L 0.19 Y 0.18 D 0.16 K 0.15 I 0.02 N 0.02 R 0.01 HN Overlap>> 1.E409 1.N397 1.D142 1.E409 1.N397 1.D142 C Shift Assignments>> CA :: 56.8 CB :: 41.0 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 :: 7.97(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 :: 119.3(D) Ave N Shift Values>> N :: 120.45(4.18) 1.R45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 Q 0.17 R 0.14 W 0.14 K 0.13 E 0.13 M 0.06 HN Overlap>> 1.R334 1.R334 C Shift Assignments>> CA :: 55.3 CB :: 29.6 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 :: 8.57(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 :: 123.0(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.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.16 W 0.15 E 0.15 M 0.11 K 0.1 Q 0.1 V 0.01 C Shift Assignments>> CA :: 57.1 CB :: 31.0 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 :: 8.44 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 :: 123.3 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.13 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.1 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.75(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.3(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 H 0.19 R 0.18 W 0.11 K 0.1 Q 0.1 E 0.08 HN Overlap>> 1.K327 1.A319 1.V345 1.K279 1.K272 1.K327 1.A319 1.V345 1.K279 1.K272 C Shift Assignments>> CA :: 53.7 CB :: 31.2 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 :: 7.98(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.1(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.19 R 0.15 E 0.14 H 0.12 K 0.1 V 0.08 M 0.08 Q 0.07 I 0.02 C Shift Assignments>> CA :: 59.1 CB :: 31.1 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>> H :: 8.01(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 :: 124.4(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P50 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.52 P 0.14 W 0.11 V 0.1 K 0.02 E 0.02 R 0.02 H 0.02 Q 0.01 C Shift Assignments>> CA :: 62.6 CB :: 29.1 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) 1.N52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.11 H 0.1 Q 0.09 R 0.09 K 0.08 D 0.07 W 0.06 E 0.06 F 0.05 Y 0.04 N 0.03 A 0.02 S 0.02 HN Overlap>> 1.A250 1.A250 C Shift Assignments>> CA :: 55.8 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 :: 8.66(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 :: 123.8(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.25 T 0.22 I 0.18 P 0.16 S 0.1 F 0.02 Y 0.01 W 0.01 C Shift Assignments>> CA :: 62.6 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 :: 7.13(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 :: 122.2(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.97 V 0.01 HN Overlap>> 1.N391 1.N391 C Shift Assignments>> CA :: 69.4 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 :: 7.44(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 :: 121.6(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 N 0.12 L 0.11 A 0.1 M 0.08 H 0.07 Q 0.06 R 0.06 K 0.04 W 0.04 E 0.03 F 0.03 Y 0.02 HN Overlap>> 1.S4 1.E326 1.R73 1.E247 1.S4 1.E326 1.R73 1.E247 C Shift Assignments>> CA :: 54.4 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.59 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.9 Ave N Shift Values>> N :: 123.23(3.54) 1.Q56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.13 Y 0.12 W 0.11 S 0.1 E 0.09 K 0.07 R 0.07 H 0.06 Q 0.06 M 0.04 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 HN Overlap>> 1.E405 1.R283 1.E405 1.R283 1.E359 1.E359 C Shift Assignments>> CA :: 58.1 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 :: 7.63(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.1(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R57 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.93(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 :: 117.6(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.Y58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.37 F 0.3 I 0.18 E 0.05 D 0.02 L 0.02 N 0.01 M 0.01 HN Overlap>> 1.F168 1.F168 C Shift Assignments>> CA :: 58.3 CB :: 38.4 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 :: 8.47(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 :: 115.3(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.78 P 0.08 A 0.05 L 0.04 N 0.01 C Shift Assignments>> CA :: 47.7 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.05(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.8(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.67 A 0.3 I 0.02 HN Overlap>> 1.D301 1.R243 1.D301 1.R243 1.V125 1.Q147 1.V125 1.Q147 C Shift Assignments>> CA :: 54.6 CB :: 16.7 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.36(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.6(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 60.3 CB :: 62.0 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.98(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 :: 115.9(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.26 S 0.24 T 0.19 P 0.15 I 0.13 C Shift Assignments>> CA :: 65.4 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 :: 8.25(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 :: 123.1(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R63 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.E292 1.N273 1.E292 1.N273 H Shift Assignments>> H :: 8.15(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 :: 119.5(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.Q64 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.36(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 :: 117.3(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D65 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.V258 1.V258 H Shift Assignments>> H :: 7.81(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.3(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V66 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.V132 1.V132 H Shift Assignments>> H :: 8.56 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 :: 122.2 Ave N Shift Values>> N :: 121.14(4.54) 1.L67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.33 Y 0.31 D 0.1 L 0.1 I 0.08 N 0.02 K 0.01 HN Overlap>> 1.A157 1.A157 1.Q317 1.E277 1.Q317 1.E277 C Shift Assignments>> CA :: 57.5 CB :: 39.9 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 :: 8.14(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 :: 120.5(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.7 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.57(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.7(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.2 L 0.18 D 0.17 K 0.12 I 0.03 N 0.03 C Shift Assignments>> CA :: 56.8 CB :: 40.8 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 :: 7.61(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 :: 123.6(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L70 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.52 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.4 Ave N Shift Values>> N :: 121.86(3.9) 1.M71 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.64 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.5 Ave N Shift Values>> N :: 120.09(3.57) 1.S72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.D77 1.D77 1.S23 1.F322 1.S23 1.F322 H Shift Assignments>> H :: 7.52 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 :: 117.0 Ave N Shift Values>> N :: 116.28(3.52) 1.R73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.17 T 0.12 V 0.12 S 0.11 F 0.09 Y 0.09 W 0.07 E 0.03 K 0.03 R 0.03 H 0.02 Q 0.01 M 0.01 P 0.01 HN Overlap>> 1.A55 1.S4 1.A55 1.S4 C Shift Assignments>> CA :: 60.4 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 :: 8.68(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 :: 121.9(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.N74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.11 Q 0.11 R 0.1 M 0.09 K 0.09 E 0.08 L 0.07 W 0.07 F 0.06 Y 0.05 D 0.04 S 0.03 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.5 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.19(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.7(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.46 Y 0.27 F 0.22 E 0.01 C Shift Assignments>> CA :: 60.7 CB :: 38.5 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 :: 7.61(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 :: 121.8(D) Ave N Shift Values>> N :: 120.45(4.18) 1.I76 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.16(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.9(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D77 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.S72 1.S23 1.F322 1.S72 1.S23 1.F322 H Shift Assignments>> H :: 7.51(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 :: 117.0(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A78 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I79 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.93(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 :: 114.0(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I80 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.74(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 :: 123.2(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K81 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.70(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.2(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 K 0.17 H 0.16 W 0.13 R 0.11 E 0.11 M 0.04 L 0.03 I 0.01 HN Overlap>> 1.M194 1.M194 C Shift Assignments>> CA :: 55.2 CB :: 28.9 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 :: 7.89(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 :: 115.4(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K83 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.Q320 1.N429 1.Q320 1.N429 H Shift Assignments>> H :: 7.51(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 :: 117.5(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.33 Y 0.32 F 0.3 L 0.01 HN Overlap>> 1.K229 1.K229 C Shift Assignments>> CA :: 60.0 CB :: 39.3 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 :: 7.82(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 :: 119.9(D) Ave N Shift Values>> N :: 121.46(4.28) 1.N85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.7 D 0.14 G 0.08 L 0.02 F 0.02 Y 0.01 C Shift Assignments>> CA :: 49.0 CB :: 39.1 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 :: 8.57(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 :: 125.0(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.14 C Shift Assignments>> CA :: 51.2 CB :: 17.7 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.23 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.9 Ave N Shift Values>> N :: 123.23(3.54) 1.G88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.39 L 0.31 G 0.12 D 0.05 F 0.05 Y 0.03 K 0.02 C Shift Assignments>> CA :: 43.6 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.42(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.5(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.88 M 0.09 G 0.01 C Shift Assignments>> CA :: 49.5 CB :: 17.2 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.32(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.7(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.39 P 0.27 W 0.1 R 0.04 K 0.03 E 0.03 I 0.03 H 0.03 M 0.02 Q 0.01 C Shift Assignments>> CA :: 61.7 CB :: 31.6 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.T91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 61.7 CB :: 69.8 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 :: 8.74(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 :: 118.3(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Y92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.36 F 0.29 I 0.21 E 0.05 D 0.01 L 0.01 M 0.01 N 0.01 C Shift Assignments>> CA :: 58.6 CB :: 38.4 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 :: 8.96(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 :: 127.2(D) Ave N Shift Values>> N :: 120.52(4.2) 1.V93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.19 E 0.16 K 0.12 H 0.12 R 0.12 Q 0.12 I 0.07 M 0.03 V 0.02 C Shift Assignments>> CA :: 58.9 CB :: 29.6 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 :: 9.41(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 :: 125.2(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P94 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.3 G 0.09 D 0.06 F 0.05 Y 0.03 K 0.02 C Shift Assignments>> CA :: 43.5 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.79 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.8 Ave N Shift Values>> N :: 109.67(3.87) 1.E96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 H 0.17 K 0.16 W 0.13 R 0.13 E 0.13 M 0.05 L 0.01 I 0.01 HN Overlap>> 1.L412 1.L412 C Shift Assignments>> CA :: 55.6 CB :: 29.3 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 :: 8.30(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 :: 120.3(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.34 F 0.27 I 0.1 E 0.1 N 0.06 D 0.04 M 0.02 L 0.02 HN Overlap>> 1.E224 1.E224 C Shift Assignments>> CA :: 57.2 CB :: 38.1 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 :: 8.81(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 :: 127.7(D) Ave N Shift Values>> N :: 120.52(4.2) 1.K98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.3 K 0.18 Q 0.16 H 0.11 R 0.11 W 0.06 E 0.03 C Shift Assignments>> CA :: 53.8 CB :: 32.9 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 :: 8.28(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 :: 131.6(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.23 D 0.19 L 0.16 N 0.05 K 0.04 I 0.03 C Shift Assignments>> CA :: 56.6 CB :: 40.3 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 :: 7.84(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 :: 125.1(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.73 L 0.16 R 0.04 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.9 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.14(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.8(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.21 R 0.19 M 0.15 W 0.13 Q 0.13 E 0.09 K 0.07 HN Overlap>> 1.K229 1.K229 1.Q430 1.Q430 C Shift Assignments>> CA :: 53.8 CB :: 30.7 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 :: 7.76(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 :: 119.8(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.29 N 0.21 F 0.16 Y 0.15 L 0.14 I 0.01 K 0.01 HN Overlap>> 1.A341 1.A341 C Shift Assignments>> CA :: 54.9 CB :: 39.9 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 :: 8.54(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.5(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 R 0.25 K 0.17 D 0.11 F 0.09 Y 0.06 G 0.01 C Shift Assignments>> CA :: 56.3 CB :: 42.7 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 :: 8.78(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 :: 123.9(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.L245 1.L245 C Shift Assignments>> CA :: 60.7 CB :: 70.1 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 :: 8.30(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 :: 126.9(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Y105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 L 0.22 N 0.13 F 0.1 K 0.09 Y 0.07 C Shift Assignments>> CA :: 54.2 CB :: 41.0 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 :: 8.82(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.7(D) Ave N Shift Values>> N :: 120.52(4.2) 1.S106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.95 T 0.04 C Shift Assignments>> CA :: 55.8 CB :: 66.2 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.07(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 :: 112.9(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.33 K 0.17 Q 0.13 M 0.1 W 0.07 R 0.05 H 0.04 E 0.02 P 0.02 I 0.01 Y 0.01 C Shift Assignments>> CA :: 60.1 CB :: 33.5 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 :: 8.96(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 :: 122.4(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 H 0.19 R 0.18 W 0.11 K 0.1 Q 0.1 E 0.08 C Shift Assignments>> CA :: 54.0 CB :: 31.2 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>> H :: 8.88(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 :: 126.3(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 Y 0.23 F 0.18 E 0.13 D 0.07 M 0.04 I 0.03 L 0.02 HN Overlap>> 1.R344 1.T143 1.R344 1.T143 C Shift Assignments>> CA :: 55.6 CB :: 37.8 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 :: 7.74(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 :: 117.8(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 H 0.17 R 0.16 K 0.14 W 0.1 Q 0.07 E 0.06 HN Overlap>> 1.V215 1.V215 C Shift Assignments>> CA :: 53.7 CB :: 31.8 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 :: 8.52(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 :: 119.0(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.2 V 0.16 M 0.13 W 0.11 R 0.1 Q 0.1 H 0.08 E 0.06 C Shift Assignments>> CA :: 59.1 CB :: 32.7 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 :: 8.03(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 :: 114.6(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Y112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.39 Y 0.19 F 0.11 M 0.1 I 0.06 N 0.04 K 0.04 Q 0.01 HN Overlap>> 1.K296 1.K296 1.V408 1.V408 C Shift Assignments>> CA :: 57.0 CB :: 36.7 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 :: 8.02(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.1(D) Ave N Shift Values>> N :: 120.52(4.2) 1.P113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.35 P 0.34 W 0.09 I 0.08 R 0.03 E 0.02 H 0.02 K 0.01 C Shift Assignments>> CA :: 62.3 CB :: 31.0 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.E114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 H 0.16 K 0.16 W 0.14 E 0.13 R 0.13 M 0.04 L 0.01 I 0.01 HN Overlap>> 1.K146 1.M374 1.T18 1.K146 1.M374 1.T18 C Shift Assignments>> CA :: 55.8(D) CB :: 29.3(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 :: 8.28(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.0(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.4 P 0.24 W 0.11 R 0.05 K 0.05 E 0.03 H 0.03 M 0.02 I 0.02 Q 0.01 HN Overlap>> 1.L120 1.L120 1.R315 1.R315 C Shift Assignments>> CA :: 61.5(D) CB :: 31.8(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.03(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 :: 121.4(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.17 K 0.14 R 0.14 W 0.14 E 0.13 M 0.05 C Shift Assignments>> CA :: 55.6(D) CB :: 29.5(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) 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 :: 126.2(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 K 0.23 D 0.16 R 0.12 F 0.11 Y 0.08 N 0.01 C Shift Assignments>> CA :: 56.0(D) CB :: 42.1(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 :: 7.81(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 :: 130.7(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.21 R 0.19 M 0.15 W 0.13 Q 0.13 E 0.09 K 0.07 C Shift Assignments>> CA :: 53.5(D) CB :: 30.7(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 :: 9.36(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.8(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.9 L 0.07 C Shift Assignments>> CA :: 45.9(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.40(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.3(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.34 I 0.11 D 0.07 L 0.06 N 0.02 HN Overlap>> 1.V115 1.R315 1.V115 1.R315 C Shift Assignments>> CA :: 57.8(D) CB :: 39.5(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 :: 8.02(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 :: 121.5(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.24 L 0.19 Q 0.15 H 0.09 W 0.09 K 0.08 E 0.07 I 0.03 M 0.01 HN Overlap>> 1.N225 1.N225 C Shift Assignments>> CA :: 56.5(D) CB :: 27.4(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 :: 8.58(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 :: 113.3(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.94 M 0.05 C Shift Assignments>> CA :: 50.2(D) CB :: 18.6(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.19(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.4(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.67 Y 0.13 F 0.09 V 0.04 E 0.03 C Shift Assignments>> CA :: 62.3(D) CB :: 37.1(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 :: 6.99(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 :: 123.0(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.2 R 0.17 Q 0.16 W 0.14 E 0.12 M 0.1 K 0.08 C Shift Assignments>> CA :: 54.6(D) CB :: 30.2(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 :: 8.17(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 :: 127.6(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.23 E 0.17 K 0.12 I 0.1 Q 0.1 M 0.09 Y 0.06 F 0.02 W 0.02 R 0.01 H 0.01 HN Overlap>> 1.D301 1.R243 1.A60 1.D301 1.R243 1.A60 1.Q147 1.Q147 C Shift Assignments>> CA :: 60.1(D) CB :: 34.9(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.34(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 :: 123.6(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.21 R 0.18 Q 0.15 W 0.13 M 0.12 E 0.1 K 0.07 C Shift Assignments>> CA :: 53.9(D) CB :: 30.3(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.04(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 :: 128.1(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.33 Q 0.19 K 0.13 P 0.13 H 0.07 R 0.05 W 0.03 N 0.01 C Shift Assignments>> CA :: 52.0(D) CB :: 33.7(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.15(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 :: 131.4(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P128 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.37 Y 0.17 I 0.14 F 0.09 M 0.07 K 0.04 V 0.02 Q 0.02 HN Overlap>> 1.A268 1.A268 1.V354 1.V354 C Shift Assignments>> CA :: 58.8(D) CB :: 36.3(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 :: 8.02(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 :: 125.2(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.2 V 0.19 M 0.13 Q 0.11 W 0.1 R 0.09 H 0.07 E 0.05 HN Overlap>> 1.A182 1.A182 C Shift Assignments>> CA :: 59.3(D) CB :: 32.9(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 :: 7.93(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 :: 126.2(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 H 0.17 R 0.16 K 0.13 W 0.1 Q 0.07 E 0.06 HN Overlap>> 1.D42 1.D42 C Shift Assignments>> CA :: 53.5(D) CB :: 31.8(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 :: 8.43(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 :: 125.7(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.28 P 0.23 I 0.18 W 0.13 E 0.04 R 0.04 H 0.03 Q 0.01 K 0.01 HN Overlap>> 1.E247 1.E247 1.V66 1.V66 C Shift Assignments>> CA :: 62.2(D) CB :: 30.4(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 :: 8.56(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 :: 122.1(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 59.9(D) CB :: 71.5(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 :: 9.56(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 :: 123.2(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.33 I 0.1 D 0.08 L 0.06 N 0.03 E 0.01 HN Overlap>> 1.D396 1.E264 1.D396 1.E264 C Shift Assignments>> CA :: 57.5(D) CB :: 39.2(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 :: 8.72(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.2(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.61 A 0.36 I 0.02 HN Overlap>> 1.I371 1.I371 C Shift Assignments>> CA :: 54.4(D) CB :: 17.0(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.95(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.D136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.31 F 0.3 D 0.13 L 0.09 I 0.06 N 0.06 C Shift Assignments>> CA :: 56.9(D) CB :: 39.5(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 :: 7.74(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.6(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.52 P 0.31 I 0.13 W 0.01 C Shift Assignments>> CA :: 65.8(D) CB :: 30.6(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 :: 7.51(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 :: 123.1(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.34 F 0.32 D 0.09 I 0.09 L 0.06 N 0.05 E 0.01 HN Overlap>> 1.I282 1.I282 C Shift Assignments>> CA :: 57.2(D) CB :: 39.1(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 :: 8.58(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 :: 120.7(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.06 C Shift Assignments>> CA :: 46.3(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.03(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.7(D) Ave N Shift Values>> N :: 109.67(3.87) 1.M140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.17 E 0.15 W 0.15 Q 0.13 M 0.09 K 0.07 HN Overlap>> 1.L332 1.E310 1.L332 1.E310 C Shift Assignments>> CA :: 56.4(D) CB :: 30.5(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 :: 7.58(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 :: 123.9(D) Ave N Shift Values>> N :: 120.09(3.57) 1.L141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.35 Y 0.35 I 0.13 L 0.06 D 0.06 N 0.01 HN Overlap>> 1.E326 1.E326 C Shift Assignments>> CA :: 58.2(D) CB :: 39.7 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 :: 8.40(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 :: 121.9(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.3 Y 0.29 D 0.15 L 0.11 I 0.06 N 0.05 K 0.01 HN Overlap>> 1.F44 1.N325 1.E409 1.N397 1.R356 1.F44 1.N325 1.E409 1.N397 1.R356 C Shift Assignments>> CA :: 56.9 CB :: 39.8 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 :: 7.97(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 :: 119.4(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.F109 1.R344 1.F109 1.R344 C Shift Assignments>> CA :: 66.1(D) CB :: 68.1(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 :: 7.80(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.8(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.23 F 0.12 K 0.11 Y 0.1 N 0.09 R 0.01 HN Overlap>> 1.L403 1.L403 C Shift Assignments>> CA :: 54.9(D) CB :: 41.0(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 :: 8.04(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 :: 123.0(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R145 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.V345 1.Q9 1.V345 1.Q9 H Shift Assignments>> H :: 8.07 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 :: 120.0 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.K146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 K 0.19 R 0.13 H 0.13 Q 0.12 W 0.08 E 0.05 HN Overlap>> 1.M374 1.T18 1.E114 1.M374 1.T18 1.E114 C Shift Assignments>> CA :: 54.8 CB :: 32.5 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 :: 8.23 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.0 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 K 0.16 H 0.16 W 0.14 E 0.13 R 0.12 M 0.04 L 0.01 I 0.01 HN Overlap>> 1.D301 1.R243 1.A60 1.V125 1.D301 1.R243 1.A60 1.V125 C Shift Assignments>> CA :: 55.9(D) CB :: 29.2 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 :: 8.34(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 :: 123.6(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 K 0.18 R 0.16 H 0.15 W 0.11 E 0.09 Q 0.06 V 0.01 C Shift Assignments>> CA :: 56.0(D) CB :: 32.0(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 :: 8.15(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.6(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 A 0.25 I 0.02 HN Overlap>> 1.A290 1.W151 1.A290 1.W151 C Shift Assignments>> CA :: 54.8 CB :: 16.5 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.14 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.3 Ave N Shift Values>> N :: 123.23(3.54) 1.T150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E220 1.E220 C Shift Assignments>> CA :: 56.8 CB :: 65.1 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 :: 8.06 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 Ave N Shift Values>> N :: 115.42(4.75) 1.W151 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.A290 1.A290 1.A149 1.A149 H Shift Assignments>> H :: 8.18 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 124.3 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.34 Q 0.24 K 0.15 E 0.07 N 0.04 H 0.04 R 0.03 W 0.01 Y 0.01 C Shift Assignments>> CA :: 53.6 CB :: 34.6 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.44(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.2(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.17 W 0.16 Q 0.16 E 0.15 H 0.13 R 0.11 I 0.04 M 0.02 L 0.01 C Shift Assignments>> CA :: 57.7 CB :: 29.0 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 :: 8.76(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 :: 124.7(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.33 Q 0.21 K 0.15 E 0.12 N 0.05 H 0.03 R 0.02 Y 0.02 W 0.01 F 0.01 C Shift Assignments>> CA :: 54.0 CB :: 34.9 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 :: 8.71(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.5(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.45 D 0.3 L 0.09 F 0.06 Y 0.05 C Shift Assignments>> CA :: 52.7 CB :: 39.8 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 :: 8.60(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 :: 124.4(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.41 L 0.29 D 0.07 K 0.06 F 0.06 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> CA :: 43.1 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.15(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.0(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.95 M 0.04 HN Overlap>> 1.L67 1.Q317 1.I385 1.L67 1.Q317 1.I385 C Shift Assignments>> CA :: 50.4 CB :: 19.1 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.11(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.6(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.52 V 0.4 I 0.03 W 0.02 C Shift Assignments>> CA :: 63.9 CB :: 31.5 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 :: 8.61(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.8(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E159 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Suspicious PRTL>> M 0.19 H 0.18 R 0.18 W 0.12 K 0.1 Q 0.1 E 0.09 C Shift Assignments>> CA :: 54.4 CB :: 31.2 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>> H :: 9.52(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 :: 132.7(S) Ave N Shift Values>> N :: 120.67(3.48) 1.A160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.59 M 0.36 I 0.02 C Shift Assignments>> CA :: 54.8 CB :: 18.9 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.16(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.0(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 R 0.15 K 0.15 H 0.14 L 0.12 W 0.11 E 0.08 M 0.02 I 0.01 C Shift Assignments>> CA :: 54.8 CB :: 28.2 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>> H :: 8.00(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 :: 112.6(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.29 L 0.24 K 0.15 F 0.11 Y 0.08 N 0.07 R 0.02 C Shift Assignments>> CA :: 54.9 CB :: 41.3 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 :: 7.15(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 :: 123.4(D) Ave N Shift Values>> N :: 120.65(3.86) 1.R163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.31 Q 0.19 K 0.19 H 0.1 R 0.1 W 0.05 E 0.02 C Shift Assignments>> CA :: 54.0 CB :: 33.1 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 :: 8.76(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 :: 119.1(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.V164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 M 0.19 Q 0.18 R 0.09 H 0.08 W 0.07 V 0.06 E 0.04 HN Overlap>> 1.I213 1.I213 C Shift Assignments>> CA :: 57.7 CB :: 33.1 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>> H :: 8.89(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 :: 120.2(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T165 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 61.2 CB :: 68.5 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.35(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 :: 119.8(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 K 0.23 Y 0.19 L 0.15 D 0.08 I 0.04 R 0.03 C Shift Assignments>> CA :: 57.9 CB :: 41.4 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.46(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 :: 120.4(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.4 L 0.22 N 0.18 K 0.07 F 0.04 Y 0.03 R 0.02 HN Overlap>> 1.Q406 1.Q406 C Shift Assignments>> CA :: 52.0 CB :: 41.5 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 :: 8.42(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 :: 119.7(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 R 0.23 D 0.16 K 0.12 F 0.06 Y 0.04 G 0.01 N 0.01 HN Overlap>> 1.Y58 1.T169 1.Y58 1.T169 C Shift Assignments>> CA :: 55.0 CB :: 42.8 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 :: 8.46(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 :: 115.4(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.F168 1.F168 C Shift Assignments>> CA :: 61.8 CB :: 70.9 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 :: 8.41(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 :: 115.5(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G170 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.42 L 0.28 R 0.19 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> CA :: 44.3 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.32(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 119.9(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.D22 1.D22 C Shift Assignments>> CA :: 56.5 CB :: 65.4 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.84(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.V172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.47 K 0.12 Q 0.08 M 0.06 W 0.06 P 0.05 R 0.04 H 0.03 I 0.02 E 0.01 C Shift Assignments>> CA :: 60.8 CB :: 33.5 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 :: 8.81(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 :: 121.3(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D173 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.31 Y 0.19 D 0.18 F 0.17 L 0.07 I 0.02 E 0.01 M 0.01 C Shift Assignments>> CA :: 55.0 CB :: 38.8 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 :: 9.47(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 :: 129.9(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.53 L 0.24 R 0.13 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.5 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.48(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.8(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.2 R 0.18 M 0.15 W 0.13 Q 0.12 E 0.1 K 0.08 HN Overlap>> 1.L427 1.E386 1.L427 1.E386 C Shift Assignments>> CA :: 54.1 CB :: 30.8 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 :: 7.80(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 :: 121.1(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 K 0.17 H 0.15 W 0.14 E 0.13 R 0.11 M 0.03 L 0.02 I 0.01 C Shift Assignments>> CA :: 56.3 CB :: 29.0 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 :: 8.65(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 :: 125.5(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 N 0.28 L 0.15 F 0.09 Y 0.07 K 0.02 C Shift Assignments>> CA :: 53.6 CB :: 40.3 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 :: 7.11(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 :: 117.3(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 R 0.15 K 0.15 W 0.13 H 0.11 E 0.11 L 0.07 I 0.06 M 0.01 HN Overlap>> 1.D363 1.D363 C Shift Assignments>> CA :: 57.4 CB :: 28.1 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) 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 :: 125.2(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.64 L 0.2 R 0.08 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.7 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.83(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.9(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.9 L 0.07 C Shift Assignments>> CA :: 45.8 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.79(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.3(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.34 Q 0.24 K 0.16 E 0.08 H 0.04 N 0.04 R 0.03 W 0.01 Y 0.01 HN Overlap>> 1.E383 1.Q289 1.E383 1.Q289 C Shift Assignments>> CA :: 53.8 CB :: 34.6 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 :: 7.39(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 :: 119.5(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.78 L 0.2 HN Overlap>> 1.V130 1.V130 C Shift Assignments>> CA :: 50.9 CB :: 21.9 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.93(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.1(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S183 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 55.9 CB :: 64.5 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.27(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 :: 116.1(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D184 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.24 N 0.23 F 0.22 D 0.15 L 0.06 I 0.03 E 0.02 M 0.01 C Shift Assignments>> CA :: 55.6 CB :: 38.7 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 :: 9.52(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 :: 124.2(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.32 I 0.1 D 0.08 L 0.05 N 0.05 E 0.01 C Shift Assignments>> CA :: 57.3 CB :: 39.0 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.03(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 :: 122.1(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V186 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.21 W 0.21 V 0.15 E 0.09 R 0.08 H 0.06 P 0.05 K 0.05 Q 0.04 M 0.01 C Shift Assignments>> CA :: 61.2 CB :: 30.0 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) 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 :: 130.0(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L187 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 D 0.25 R 0.17 G 0.1 K 0.04 N 0.03 F 0.03 Y 0.01 C Shift Assignments>> CA :: 52.2 CB :: 43.0 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.20(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 :: 131.9(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.68 M 0.31 C Shift Assignments>> CA :: 51.0 CB :: 15.7 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.44(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 133.0(D) Ave N Shift Values>> N :: 123.23(3.54) 1.M189 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.2 M 0.2 R 0.15 H 0.13 W 0.1 E 0.08 Q 0.08 V 0.02 C Shift Assignments>> CA :: 56.5 CB :: 32.2 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 :: 8.47(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 :: 125.9(D) Ave N Shift Values>> N :: 120.09(3.57) 1.G190 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.08 C Shift Assignments>> CA :: 45.7 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.07(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.5(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q191 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 L 0.17 R 0.16 H 0.14 K 0.12 W 0.1 E 0.06 M 0.02 C Shift Assignments>> CA :: 53.5 CB :: 28.1 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 :: 8.91(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.1(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.9 L 0.07 C Shift Assignments>> CA :: 45.8 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.00(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.7(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R193 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 M 0.16 E 0.06 Y 0.03 K 0.02 Q 0.02 F 0.02 D 0.01 HN Overlap>> 1.E82 1.E82 C Shift Assignments>> CA :: 51.1 CB :: 36.0 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 :: 7.99 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 :: 115.4 Ave N Shift Values>> N :: 120.09(3.57) 1.I195 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.31 I 0.22 Y 0.18 F 0.1 M 0.05 V 0.04 K 0.04 Q 0.01 C Shift Assignments>> CA :: 59.6 CB :: 36.3 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 :: 7.49(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 :: 116.4(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P196 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.6 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.F198 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.36 Y 0.3 F 0.3 L 0.01 HN Overlap>> 1.A410 1.A410 C Shift Assignments>> CA :: 60.3 CB :: 39.5 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 :: 7.66(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 :: 123.4(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E199 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> Y 0.31 F 0.3 D 0.13 L 0.09 I 0.06 N 0.06 C Shift Assignments>> CA :: 56.9 CB :: 39.5 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) 1.G201 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.09 C Shift Assignments>> CA :: 45.4 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.28(D) 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.I202 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.7 Y 0.13 F 0.09 V 0.02 E 0.02 HN Overlap>> 1.D312 1.Q289 1.D312 1.Q289 C Shift Assignments>> CA :: 62.4 CB :: 37.4 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 :: 7.21(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.K203 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 W 0.16 E 0.15 H 0.15 K 0.1 M 0.1 Q 0.09 V 0.03 I 0.01 HN Overlap>> 1.K227 1.K227 C Shift Assignments>> CA :: 57.8 CB :: 31.0 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 :: 6.89(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 :: 118.1(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G204 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.42 L 0.28 R 0.19 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> CA :: 44.3 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.78(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.9(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H205 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 H 0.18 K 0.15 R 0.14 W 0.13 E 0.12 M 0.06 L 0.01 C Shift Assignments>> CA :: 54.9 CB :: 29.4 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.39(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.4(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K206 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.32 Q 0.2 K 0.14 E 0.14 N 0.06 H 0.03 Y 0.02 R 0.02 W 0.01 F 0.01 C Shift Assignments>> CA :: 54.0 CB :: 35.0 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 :: 8.49(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 :: 118.5(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A207 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.53 M 0.46 C Shift Assignments>> CA :: 53.1 CB :: 16.7 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.63(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.7(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G208 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 R 0.28 G 0.26 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> CA :: 44.0 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.06(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.3(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E209 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 M 0.16 H 0.16 K 0.13 W 0.13 E 0.12 Q 0.09 V 0.01 C Shift Assignments>> CA :: 56.3 CB :: 31.4 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 :: 7.79(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.E210 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.19 M 0.19 R 0.18 W 0.12 Q 0.1 K 0.1 E 0.09 C Shift Assignments>> CA :: 54.0 CB :: 31.1 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 :: 8.16(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 :: 120.3(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F211 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.35 Y 0.19 F 0.16 D 0.11 E 0.06 L 0.03 M 0.03 I 0.02 HN Overlap>> 1.K361 1.M274 1.K361 1.M274 C Shift Assignments>> CA :: 55.0 CB :: 38.1 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 :: 8.15(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(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T212 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 60.2 CB :: 70.5 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 :: 8.59(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 :: 115.8(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I213 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.35 Y 0.33 I 0.18 L 0.05 D 0.03 K 0.02 HN Overlap>> 1.V164 1.V164 C Shift Assignments>> CA :: 59.0 CB :: 40.1 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) 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 :: 120.2(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D214 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.27 K 0.12 N 0.08 R 0.05 F 0.05 Y 0.03 C Shift Assignments>> CA :: 53.2 CB :: 41.9 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.35(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 :: 123.8(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V215 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.26 K 0.12 M 0.12 V 0.11 Q 0.1 I 0.09 Y 0.08 F 0.03 W 0.01 H 0.01 R 0.01 HN Overlap>> 1.E110 1.E110 C Shift Assignments>> CA :: 59.3 CB :: 35.2 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 :: 8.49(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 :: 119.1(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T216 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 60.7 CB :: 69.6 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 :: 8.44(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 :: 120.7(D) Ave N Shift Values>> N :: 115.42(4.75) 1.F217 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.28 I 0.12 E 0.08 N 0.04 D 0.04 L 0.02 M 0.02 C Shift Assignments>> CA :: 57.5 CB :: 38.2 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 :: 8.79(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 :: 128.1(D) Ave N Shift Values>> N :: 120.45(4.18) 1.P218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.39 P 0.36 W 0.08 I 0.03 R 0.02 E 0.02 K 0.02 H 0.02 M 0.01 C Shift Assignments>> CA :: 62.2 CB :: 31.5 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.E219 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 I 0.15 R 0.14 K 0.13 Q 0.13 E 0.11 H 0.09 L 0.04 M 0.01 C Shift Assignments>> CA :: 58.8 CB :: 28.1 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 :: 8.81(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 :: 123.7(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E220 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 R 0.24 Q 0.14 H 0.09 W 0.07 K 0.06 E 0.04 I 0.01 M 0.01 HN Overlap>> 1.T150 1.T150 C Shift Assignments>> CA :: 54.8 CB :: 27.3 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.10(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 :: 115.2(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y221 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.36 F 0.34 I 0.2 L 0.03 D 0.03 E 0.01 HN Overlap>> 1.A377 1.A377 C Shift Assignments>> CA :: 58.7 CB :: 39.2 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 :: 7.32(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.7(D) Ave N Shift Values>> N :: 120.52(4.2) 1.H222 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.16 W 0.14 R 0.13 E 0.12 H 0.12 I 0.06 L 0.05 M 0.01 C Shift Assignments>> CA :: 57.5 CB :: 28.3 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 :: 6.78(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.2(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A223 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Duplicate PRTL>> A 0.89 M 0.1 C Shift Assignments>> CA :: 50.2 CB :: 17.5 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 5.47(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.2(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E224 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.17 W 0.16 K 0.14 Q 0.12 E 0.12 R 0.11 H 0.09 L 0.02 M 0.01 HN Overlap>> 1.Y97 1.Y97 C Shift Assignments>> CA :: 59.1 CB :: 28.3 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 :: 8.83(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 :: 127.6(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N225 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.29 E 0.23 M 0.21 Y 0.07 K 0.06 Q 0.04 F 0.04 D 0.01 HN Overlap>> 1.E121 1.E121 C Shift Assignments>> CA :: 53.8 CB :: 36.1 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 :: 8.61(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 :: 113.4(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L226 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 D 0.29 K 0.13 R 0.1 F 0.05 N 0.05 Y 0.03 C Shift Assignments>> CA :: 53.5 CB :: 42.2 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 :: 6.98(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 :: 117.9(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K227 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.16 W 0.16 H 0.15 E 0.14 K 0.12 M 0.11 Q 0.09 V 0.03 HN Overlap>> 1.K203 1.K203 C Shift Assignments>> CA :: 57.7 CB :: 31.2 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.90(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 :: 118.0(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G228 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.08 C Shift Assignments>> CA :: 45.5 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.02(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.8(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K229 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 R 0.16 K 0.16 H 0.16 W 0.1 E 0.08 Q 0.06 HN Overlap>> 1.I84 1.I84 1.E101 1.E101 C Shift Assignments>> CA :: 55.1 CB :: 31.9 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 :: 7.76(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 :: 119.9(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A230 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.14 HN Overlap>> 1.K420 1.E244 1.R271 1.L370 1.K420 1.E244 1.R271 1.L370 C Shift Assignments>> CA :: 51.3 CB :: 17.8 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.16(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.A231 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.5 L 0.42 G 0.02 K 0.02 P 0.01 C Shift Assignments>> CA :: 49.7 CB :: 23.0 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.15(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.1(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K232 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.34 Q 0.24 K 0.15 E 0.07 N 0.04 H 0.04 R 0.03 W 0.01 Y 0.01 HN Overlap>> 1.V346 1.Q340 1.V346 1.Q340 C Shift Assignments>> CA :: 53.6 CB :: 34.6 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 :: 8.52(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 :: 121.2(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F233 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.22 K 0.2 D 0.19 F 0.17 Y 0.13 R 0.02 N 0.02 I 0.01 C Shift Assignments>> CA :: 56.3 CB :: 41.3 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.01(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 :: 119.9(D) Ave N Shift Values>> N :: 120.45(4.18) 1.A234 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.13 C Shift Assignments>> CA :: 51.1 CB :: 17.7 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.51(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.4(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I235 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.29 Y 0.26 F 0.17 I 0.15 M 0.05 K 0.02 N 0.01 HN Overlap>> 1.V240 1.V240 C Shift Assignments>> CA :: 58.2 CB :: 37.1 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.00(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.N236 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.64 D 0.22 L 0.05 F 0.04 Y 0.03 C Shift Assignments>> CA :: 51.4 CB :: 39.3 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 :: 8.47(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 :: 124.8(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L237 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.25 K 0.13 N 0.09 F 0.08 Y 0.05 R 0.03 HN Overlap>> 1.E259 1.E259 1.K238 1.K238 C Shift Assignments>> CA :: 54.0 CB :: 41.5 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 :: 8.48(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 :: 128.0(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K238 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.19 M 0.16 R 0.15 W 0.13 H 0.12 E 0.1 Q 0.06 V 0.05 HN Overlap>> 1.E259 1.L237 1.E259 1.L237 C Shift Assignments>> CA :: 57.8 CB :: 32.1 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 :: 8.55(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 :: 128.0(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K239 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 E 0.23 Q 0.18 K 0.15 Y 0.04 H 0.02 R 0.02 F 0.01 N 0.01 V 0.01 W 0.01 I 0.01 C Shift Assignments>> CA :: 56.1 CB :: 35.1 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 :: 7.49(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 :: 118.3(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V240 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.56 P 0.12 K 0.07 W 0.05 Q 0.04 M 0.03 R 0.02 I 0.02 H 0.02 E 0.01 HN Overlap>> 1.I235 1.I235 C Shift Assignments>> CA :: 61.4 CB :: 33.4 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.02(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 :: 126.8(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E241 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.36 N 0.21 Q 0.14 K 0.12 Y 0.05 F 0.02 H 0.02 R 0.01 C Shift Assignments>> CA :: 53.6 CB :: 35.5 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.22(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 :: 125.6(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E242 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.3 K 0.14 H 0.12 Q 0.11 R 0.11 P 0.1 W 0.06 E 0.02 C Shift Assignments>> CA :: 52.4 CB :: 32.7 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.38(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.1(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R243 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.D301 1.L349 1.V3 1.D301 1.L349 1.V3 1.A60 1.V125 1.Q147 1.A60 1.V125 1.Q147 H Shift Assignments>> H :: 8.28 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 :: 123.6 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.E244 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.A230 1.A230 H Shift Assignments>> H :: 8.11 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.8 Ave N Shift Values>> N :: 120.67(3.48) 1.L245 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.T104 1.T104 H Shift Assignments>> H :: 8.34 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 :: 126.9 Ave N Shift Values>> N :: 121.86(3.9) 1.P246 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E247 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.19 E 0.15 K 0.14 Q 0.11 I 0.11 H 0.11 R 0.1 M 0.02 V 0.01 HN Overlap>> 1.A55 1.S4 1.A55 1.S4 1.V132 1.V132 C Shift Assignments>> CA :: 59.2 CB :: 29.2 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>> H :: 8.56(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.0(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L248 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.65 D 0.11 Y 0.07 F 0.06 L 0.02 E 0.02 M 0.02 HN Overlap>> 1.A36 1.A36 C Shift Assignments>> CA :: 53.0(D) CB :: 38.1(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 :: 8.14(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 :: 121.2(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T249 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.S309 1.S309 1.F337 1.F337 C Shift Assignments>> CA :: 60.2(D) CB :: 71.1 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 :: 7.58(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 :: 114.4(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A250 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.61 A 0.36 I 0.02 HN Overlap>> 1.N52 1.N52 C Shift Assignments>> CA :: 54.6(D) CB :: 17.2(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.67(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.8(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E251 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.18 R 0.17 H 0.16 K 0.14 W 0.12 E 0.11 Q 0.08 V 0.01 C Shift Assignments>> CA :: 56.0 CB :: 31.5 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) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.4(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F252 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.33 F 0.24 I 0.21 E 0.13 M 0.02 D 0.01 N 0.01 HN Overlap>> 1.L314 1.L427 1.L314 1.L427 C Shift Assignments>> CA :: 58.6 CB :: 37.8 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 :: 7.88(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(D) Ave N Shift Values>> N :: 120.45(4.18) 1.I253 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.33 F 0.32 Y 0.29 K 0.02 L 0.02 HN Overlap>> 1.A319 1.A319 C Shift Assignments>> CA :: 60.5 CB :: 40.3 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 :: 7.80(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 :: 120.1(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K254 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R255 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F256 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G257 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.59 L 0.23 R 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.6(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.27(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.4(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V258 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.27 W 0.17 R 0.09 P 0.09 E 0.08 K 0.07 H 0.07 M 0.04 I 0.03 Q 0.03 HN Overlap>> 1.D65 1.D65 C Shift Assignments>> CA :: 60.7(D) CB :: 31.4(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 :: 7.86(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 :: 122.2(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E259 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 K 0.17 E 0.14 Q 0.14 H 0.11 I 0.09 R 0.09 M 0.02 L 0.01 HN Overlap>> 1.L237 1.K238 1.L237 1.K238 C Shift Assignments>> CA :: 58.6(D) CB :: 28.8(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 :: 8.47(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 :: 128.0(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D260 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.45 D 0.29 L 0.09 F 0.08 Y 0.07 C Shift Assignments>> CA :: 53.1(D) CB :: 39.6(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 :: 8.10(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 :: 116.1(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G261 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.06 C Shift Assignments>> CA :: 46.3(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.96(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.9(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S262 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 57.2(D) CB :: 64.8(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.05(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 :: 115.7(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V263 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.42 P 0.33 I 0.2 W 0.02 C Shift Assignments>> CA :: 65.2(D) CB :: 30.3(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 :: 8.60(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 :: 124.1(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E264 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.22 R 0.18 W 0.13 Q 0.1 K 0.09 E 0.08 H 0.07 L 0.06 HN Overlap>> 1.D396 1.D396 1.D134 1.D134 C Shift Assignments>> CA :: 59.2(D) CB :: 27.6(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.73(D) 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.G265 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.64 L 0.2 R 0.08 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.7(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.27(D) 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.L266 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.23 K 0.11 F 0.11 N 0.09 Y 0.08 R 0.01 C Shift Assignments>> CA :: 54.7(D) CB :: 41.1(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 :: 7.97(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 :: 122.3(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R267 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 K 0.17 H 0.15 W 0.14 E 0.13 R 0.11 M 0.03 L 0.02 I 0.01 HN Overlap>> 1.I355 1.I355 C Shift Assignments>> CA :: 56.2(D) CB :: 29.0(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 :: 8.26(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 :: 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.A268 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.14 HN Overlap>> 1.I129 1.V354 1.I129 1.V354 C Shift Assignments>> CA :: 51.6(D) CB :: 18.0(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.05(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.2(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E269 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.E372 1.M274 1.E372 1.M274 1.L314 1.L314 H Shift Assignments>> H :: 8.00 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 :: 120.9 Ave N Shift Values>> N :: 120.67(3.48) 1.V270 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.29 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 :: 125.1 Ave N Shift Values>> N :: 121.14(4.54) 1.R271 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 K 0.17 E 0.14 Q 0.14 H 0.12 R 0.09 I 0.09 M 0.02 L 0.01 HN Overlap>> 1.K420 1.K420 1.A230 1.A230 C Shift Assignments>> CA :: 58.5 CB :: 28.8 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 :: 8.19(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 :: 124.7(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.K272 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 R 0.17 H 0.17 K 0.13 W 0.11 E 0.09 Q 0.08 HN Overlap>> 1.K48 1.K327 1.A319 1.K279 1.K48 1.K327 1.A319 1.K279 C Shift Assignments>> CA :: 55.0(D) CB :: 31.5(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 :: 7.95(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.1(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N273 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.68 D 0.09 Y 0.07 F 0.06 E 0.02 M 0.02 L 0.02 HN Overlap>> 1.R63 1.E292 1.R63 1.E292 1.R356 1.R356 C Shift Assignments>> CA :: 52.8(D) CB :: 37.9(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.11(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 :: 119.5(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M274 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 K 0.16 H 0.15 R 0.12 W 0.12 E 0.1 L 0.08 M 0.02 I 0.01 HN Overlap>> 1.F211 1.F211 1.E269 1.E269 C Shift Assignments>> CA :: 55.3(D) CB :: 28.4(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 :: 8.11(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 :: 120.9(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E275 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R276 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E277 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 K 0.17 Q 0.14 E 0.14 H 0.11 I 0.1 R 0.09 L 0.02 M 0.01 HN Overlap>> 1.L67 1.Q317 1.L67 1.Q317 C Shift Assignments>> CA :: 58.5 CB :: 28.6 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 :: 8.18(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 :: 120.5(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L278 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.21 L 0.16 K 0.14 D 0.13 I 0.04 N 0.01 R 0.01 C Shift Assignments>> CA :: 57.3(D) CB :: 40.9(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 :: 8.79(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 :: 122.5(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K279 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.26 W 0.21 E 0.13 Q 0.11 H 0.1 R 0.08 V 0.01 M 0.01 L 0.01 P 0.01 K 0.01 HN Overlap>> 1.K48 1.K327 1.A319 1.K48 1.K327 1.A319 1.K272 1.K272 C Shift Assignments>> CA :: 59.8(D) CB :: 28.6(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 :: 7.92(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.1(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S280 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.F337 1.F337 C Shift Assignments>> CA :: 60.7(D) CB :: 62.0(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.49(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 :: 114.5(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A281 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.54 A 0.43 I 0.02 C Shift Assignments>> CA :: 54.6(D) CB :: 17.7(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.08(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.7(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I282 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.87 V 0.09 Y 0.01 F 0.01 HN Overlap>> 1.D138 1.D138 C Shift Assignments>> CA :: 66.1(D) CB :: 37.2(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 :: 8.66(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 :: 120.7(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R283 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 K 0.16 E 0.14 Q 0.14 H 0.11 I 0.11 R 0.09 M 0.01 L 0.01 HN Overlap>> 1.E426 1.V33 1.E426 1.V33 1.Q56 1.Q56 C Shift Assignments>> CA :: 58.7(D) CB :: 28.7(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 :: 7.54(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 :: 119.1(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.N284 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.23 N 0.21 F 0.17 E 0.17 M 0.06 D 0.05 I 0.03 L 0.02 K 0.01 C Shift Assignments>> CA :: 55.7(D) CB :: 37.6(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.26(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 :: 117.5(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R285 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.18 Q 0.17 W 0.15 E 0.13 H 0.13 R 0.09 I 0.06 L 0.03 M 0.02 C Shift Assignments>> CA :: 57.6(D) CB :: 28.5(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 :: 8.14(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 :: 123.4(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.V286 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.61 P 0.35 V 0.02 HN Overlap>> 1.L412 1.L412 C Shift Assignments>> CA :: 66.4(D) CB :: 27.7(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.24(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 :: 120.1(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K287 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.25 W 0.2 E 0.13 Q 0.12 R 0.1 H 0.1 L 0.02 M 0.01 V 0.01 HN Overlap>> 1.T422 1.T422 C Shift Assignments>> CA :: 59.6(D) CB :: 28.4(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.20(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.7(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S288 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 61.3(D) CB :: 62.2(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.23(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 :: 112.7(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q289 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 R 0.16 E 0.14 H 0.14 K 0.12 M 0.11 Q 0.07 V 0.05 I 0.01 HN Overlap>> 1.K181 1.I202 1.E383 1.K181 1.I202 1.E383 C Shift Assignments>> CA :: 58.3(D) CB :: 31.3(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 :: 7.30(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.5(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A290 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.71 A 0.26 I 0.02 HN Overlap>> 1.W151 1.A149 1.W151 1.A149 C Shift Assignments>> CA :: 54.8(D) CB :: 16.6(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.09(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.3(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I291 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.54 V 0.37 Y 0.03 F 0.01 C Shift Assignments>> CA :: 64.2(D) CB :: 35.9(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 :: 8.28(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 :: 116.6(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E292 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 K 0.14 I 0.13 Q 0.13 R 0.13 E 0.12 H 0.1 L 0.03 M 0.01 HN Overlap>> 1.R63 1.R63 1.N273 1.K29 1.N273 1.K29 C Shift Assignments>> CA :: 58.7(D) CB :: 28.2(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 :: 8.14(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 :: 119.6(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G293 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.6(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.95(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.1(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L294 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.27 F 0.19 L 0.18 Y 0.14 D 0.08 R 0.08 I 0.02 C Shift Assignments>> CA :: 57.6(D) CB :: 41.8(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 :: 7.94(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 :: 125.0(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V295 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.47 P 0.39 I 0.11 W 0.01 C Shift Assignments>> CA :: 65.3(D) CB :: 30.7(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.25(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.9(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K296 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 R 0.16 E 0.14 H 0.14 K 0.11 M 0.1 Q 0.08 V 0.05 I 0.01 HN Overlap>> 1.Y112 1.Y112 C Shift Assignments>> CA :: 58.3(D) CB :: 31.2(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.09(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 :: 119.1(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A297 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.92 M 0.06 C Shift Assignments>> CA :: 51.8(D) CB :: 19.3(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.05(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.0(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N298 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.39 L 0.23 N 0.16 K 0.08 F 0.04 Y 0.03 R 0.02 C Shift Assignments>> CA :: 52.1(D) CB :: 41.6(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 :: 7.23(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 :: 118.9(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D299 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.47 D 0.25 F 0.09 Y 0.08 L 0.08 C Shift Assignments>> CA :: 53.4(D) CB :: 39.3(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 :: 8.16(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.9(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I300 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.34 F 0.33 I 0.27 L 0.02 D 0.01 C Shift Assignments>> CA :: 59.6(D) CB :: 39.5(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 :: 7.55(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 :: 119.9(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D301 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 N 0.27 L 0.17 F 0.07 Y 0.05 K 0.03 HN Overlap>> 1.R243 1.A60 1.V125 1.Q147 1.R243 1.A60 1.V125 1.Q147 C Shift Assignments>> CA :: 53.0(D) CB :: 40.6(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.32(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.6(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V302 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.39 P 0.23 W 0.11 R 0.05 K 0.04 E 0.04 H 0.03 I 0.02 M 0.02 Q 0.01 C Shift Assignments>> CA :: 61.5(D) CB :: 31.7(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.99(D) 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 :: 122.1(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P303 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A304 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.59 A 0.37 I 0.02 C Shift Assignments>> CA :: 54.7(D) CB :: 17.4(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.57(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.5(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A305 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.55 A 0.42 I 0.02 C Shift Assignments>> CA :: 54.4(D) CB :: 17.4(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.66(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.8(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L306 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.2 D 0.2 L 0.18 K 0.08 N 0.04 I 0.03 HN Overlap>> 1.K414 1.K414 C Shift Assignments>> CA :: 56.5(D) CB :: 40.6(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 :: 7.07(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 :: 115.6(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I307 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.67 V 0.24 Y 0.03 F 0.02 C Shift Assignments>> CA :: 64.4(D) CB :: 36.3(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 :: 7.08(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.0(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D308 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.32 I 0.09 D 0.08 L 0.06 N 0.04 E 0.01 C Shift Assignments>> CA :: 57.3(D) CB :: 39.1(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 :: 8.36(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 :: 120.1(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S309 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.T249 1.F337 1.T249 1.F337 C Shift Assignments>> CA :: 61.0(D) CB :: 62.0(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.56(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 :: 114.4(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E310 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.16 R 0.14 W 0.13 E 0.12 H 0.12 L 0.06 I 0.05 M 0.01 HN Overlap>> 1.L332 1.L332 1.M140 1.M140 C Shift Assignments>> CA :: 57.4(D) CB :: 28.2(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 :: 7.53(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 :: 123.9(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I311 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.65 V 0.31 Y 0.01 HN Overlap>> 1.K416 1.K416 1.R399 1.R399 C Shift Assignments>> CA :: 66.0(D) CB :: 36.3(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 :: 8.61(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 :: 121.5(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D312 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.32 I 0.1 D 0.08 L 0.06 N 0.04 E 0.01 HN Overlap>> 1.I202 1.I202 C Shift Assignments>> CA :: 57.4(D) CB :: 39.2(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 :: 7.23(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 :: 119.4(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V313 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.55 P 0.26 I 0.16 W 0.01 C Shift Assignments>> CA :: 66.1(D) CB :: 30.5(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 :: 7.30(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 :: 121.2(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L314 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.24 L 0.21 F 0.18 Y 0.14 K 0.12 N 0.05 I 0.01 HN Overlap>> 1.E372 1.E269 1.F252 1.E372 1.E269 1.F252 C Shift Assignments>> CA :: 55.9(D) CB :: 40.9(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 :: 7.96(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 :: 121.0(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R315 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 R 0.16 H 0.16 K 0.15 W 0.1 E 0.08 Q 0.07 HN Overlap>> 1.L120 1.V115 1.L120 1.V115 C Shift Assignments>> CA :: 54.8(D) CB :: 31.8(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 :: 8.00(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 :: 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.R316 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 K 0.17 H 0.15 W 0.14 E 0.13 R 0.12 M 0.04 L 0.01 I 0.01 C Shift Assignments>> CA :: 56.2(D) CB :: 29.1(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 :: 8.33(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 :: 122.7(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.Q317 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.27 R 0.15 W 0.14 Q 0.09 K 0.09 E 0.08 H 0.07 L 0.04 P 0.01 HN Overlap>> 1.A157 1.L67 1.A157 1.L67 1.E277 1.E277 C Shift Assignments>> CA :: 59.6(D) CB :: 27.8(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 :: 8.16(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 :: 120.5(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A318 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.59 M 0.39 HN Overlap>> 1.E404 1.A329 1.E404 1.A329 C Shift Assignments>> CA :: 53.6(D) CB :: 17.7(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.86(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.0(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A319 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.51 M 0.47 HN Overlap>> 1.K48 1.I253 1.K327 1.K48 1.I253 1.K327 1.K279 1.K272 1.K279 1.K272 C Shift Assignments>> CA :: 53.6(D) CB :: 17.1(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.89(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.1(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q320 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.25 L 0.16 Q 0.14 W 0.1 H 0.08 K 0.07 E 0.07 I 0.07 HN Overlap>> 1.K83 1.K83 1.V39 1.V39 C Shift Assignments>> CA :: 57.4(D) CB :: 27.3(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 :: 7.61(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 :: 117.5(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R321 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.18 Q 0.16 W 0.15 E 0.14 H 0.13 R 0.1 I 0.04 M 0.02 L 0.02 HN Overlap>> 1.E426 1.E426 C Shift Assignments>> CA :: 57.4(D) CB :: 28.9(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 :: 7.47(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 :: 119.0(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.F322 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.28 F 0.22 N 0.15 E 0.13 D 0.06 I 0.05 M 0.04 L 0.02 HN Overlap>> 1.D77 1.S72 1.D77 1.S72 C Shift Assignments>> CA :: 56.2(D) CB :: 37.9(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 :: 7.52(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 :: 117.1(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G323 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.09 C Shift Assignments>> CA :: 45.4(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.83(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.6(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G324 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.48 L 0.26 R 0.15 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.4(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.01(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.6(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N325 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.74 D 0.12 Y 0.04 F 0.04 L 0.02 M 0.01 HN Overlap>> 1.E409 1.N397 1.R356 1.D142 1.E409 1.N397 1.R356 1.D142 C Shift Assignments>> CA :: 51.9(D) CB :: 38.3(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 :: 8.04(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 :: 119.4(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E326 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.17 W 0.17 Q 0.15 E 0.14 H 0.12 R 0.09 I 0.08 L 0.02 M 0.02 HN Overlap>> 1.A55 1.S4 1.L141 1.A55 1.S4 1.L141 C Shift Assignments>> CA :: 58.3(D) CB :: 28.7(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 :: 8.48(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 :: 121.9(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K327 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 R 0.16 E 0.16 H 0.15 Q 0.1 K 0.09 M 0.09 V 0.03 I 0.01 HN Overlap>> 1.K48 1.K48 1.A319 1.V345 1.K279 1.K272 1.A319 1.V345 1.K279 1.K272 C Shift Assignments>> CA :: 58.0(D) CB :: 30.9(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 :: 7.96(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.1(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q328 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 Q 0.16 K 0.13 W 0.12 H 0.11 L 0.1 E 0.1 I 0.04 M 0.01 HN Overlap>> 1.Y378 1.Y378 C Shift Assignments>> CA :: 57.0(D) CB :: 27.9(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 :: 7.80(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 :: 118.5(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A329 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.55 M 0.43 HN Overlap>> 1.E404 1.E404 1.A318 1.A318 C Shift Assignments>> CA :: 53.6(D) CB :: 17.4(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.87(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.0(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L330 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 F 0.18 L 0.17 Y 0.16 N 0.13 K 0.03 I 0.01 C Shift Assignments>> CA :: 55.4(D) CB :: 40.2(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 :: 7.62(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 :: 116.8(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E331 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 K 0.17 H 0.16 W 0.13 R 0.12 E 0.12 M 0.04 L 0.02 I 0.01 C Shift Assignments>> CA :: 55.4(D) CB :: 29.1(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 :: 7.47(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.L332 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.4 N 0.24 L 0.19 F 0.06 K 0.05 Y 0.04 HN Overlap>> 1.E310 1.M140 1.E310 1.M140 C Shift Assignments>> CA :: 52.5(D) CB :: 41.0(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 :: 7.56(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 :: 123.9(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P333 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R334 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.19 K 0.14 E 0.14 I 0.13 Q 0.11 H 0.11 R 0.09 M 0.02 V 0.01 HN Overlap>> 1.R45 1.R45 C Shift Assignments>> CA :: 59.3(D) CB :: 29.1(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 :: 8.60(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 :: 123.1(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.E335 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.21 I 0.21 W 0.13 Q 0.11 L 0.08 E 0.07 K 0.07 H 0.07 C Shift Assignments>> CA :: 59.0(D) CB :: 27.4(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.41(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 :: 117.9(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L336 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.24 F 0.22 Y 0.2 L 0.16 N 0.1 K 0.02 I 0.02 C Shift Assignments>> CA :: 55.9(D) CB :: 40.1(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 :: 7.35(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 :: 119.3(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F337 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.27 L 0.2 F 0.17 Y 0.13 D 0.1 R 0.08 I 0.02 HN Overlap>> 1.S309 1.S280 1.T249 1.S309 1.S280 1.T249 C Shift Assignments>> CA :: 57.2(D) CB :: 41.8(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 :: 7.52(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 :: 114.4(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E338 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.31 W 0.19 K 0.1 E 0.1 H 0.07 Q 0.06 R 0.06 V 0.04 P 0.02 M 0.01 C Shift Assignments>> CA :: 60.7(D) CB :: 29.0(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 :: 7.26(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 :: 120.0(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E339 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.22 W 0.15 R 0.13 K 0.11 Q 0.11 E 0.1 H 0.08 L 0.03 HN Overlap>> 1.L350 1.V28 1.L350 1.V28 C Shift Assignments>> CA :: 59.4(D) CB :: 28.0(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 :: 8.56(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 :: 120.3(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q340 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.22 Q 0.13 W 0.12 L 0.11 I 0.1 K 0.09 H 0.09 E 0.08 HN Overlap>> 1.V346 1.V346 1.R14 1.K232 1.R14 1.K232 C Shift Assignments>> CA :: 58.0(D) CB :: 27.5(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 :: 8.48(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.1(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A341 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.65 M 0.29 L 0.01 I 0.01 V 0.01 HN Overlap>> 1.D102 1.D102 C Shift Assignments>> CA :: 54.8(D) CB :: 19.3(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.59(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.4(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K342 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.2 V 0.15 R 0.13 E 0.13 H 0.1 K 0.08 M 0.06 Q 0.05 I 0.03 P 0.02 C Shift Assignments>> CA :: 59.9(D) CB :: 31.1(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 :: 8.20(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 :: 117.8(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R343 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.17 W 0.16 Q 0.16 E 0.13 H 0.11 I 0.1 R 0.08 L 0.04 M 0.01 HN Overlap>> 1.N400 1.N400 C Shift Assignments>> CA :: 58.2(D) CB :: 28.3(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 :: 7.58(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 :: 118.0(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.R344 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.2 E 0.16 R 0.13 H 0.12 Q 0.11 K 0.11 I 0.06 M 0.03 V 0.02 HN Overlap>> 1.F109 1.F109 1.T143 1.T143 C Shift Assignments>> CA :: 59.0(D) CB :: 29.8(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 :: 7.81(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 :: 117.8(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.V345 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.52 P 0.44 V 0.01 HN Overlap>> 1.K48 1.K327 1.K48 1.K327 1.Q9 1.R145 1.Q9 1.R145 C Shift Assignments>> CA :: 65.6(D) CB :: 27.8 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 :: 8.07(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 :: 120.1(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V346 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.7 P 0.15 I 0.12 HN Overlap>> 1.Q340 1.R14 1.K232 1.Q340 1.R14 1.K232 C Shift Assignments>> CA :: 67.0(D) CB :: 30.7(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.48(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 :: 121.1(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V347 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.74 I 0.14 P 0.1 C Shift Assignments>> CA :: 67.4(D) CB :: 30.6(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 :: 8.29(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.3(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G348 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.9(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.77(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.3(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L349 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.22 L 0.16 D 0.15 K 0.1 I 0.04 N 0.02 HN Overlap>> 1.V3 1.R243 1.V3 1.R243 C Shift Assignments>> CA :: 57.1(D) CB :: 40.7(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 :: 8.26(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 :: 123.5(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L350 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.23 L 0.15 K 0.14 D 0.11 I 0.05 N 0.01 R 0.01 HN Overlap>> 1.E339 1.E339 1.V28 1.V28 C Shift Assignments>> CA :: 57.6(D) CB :: 40.9 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) 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 :: 120.3(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L351 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.32 I 0.09 D 0.08 L 0.06 N 0.04 E 0.01 C Shift Assignments>> CA :: 57.3(D) CB :: 39.1 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 :: 9.02(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 :: 118.4(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G352 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.7(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.02(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.1(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E353 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 Q 0.16 K 0.14 W 0.13 H 0.11 E 0.11 L 0.08 I 0.05 M 0.01 C Shift Assignments>> CA :: 57.3(D) CB :: 28.0(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 :: 7.62(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 :: 124.2(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V354 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.73 P 0.23 I 0.02 HN Overlap>> 1.A268 1.I129 1.A268 1.I129 C Shift Assignments>> CA :: 66.6(D) CB :: 31.7(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 :: 7.97(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 :: 125.2(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I355 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.85 V 0.08 Y 0.03 F 0.02 HN Overlap>> 1.R267 1.R267 C Shift Assignments>> CA :: 65.1(D) CB :: 37.1 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 :: 8.30(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.5(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R356 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.2 E 0.17 R 0.14 H 0.13 Q 0.11 K 0.09 M 0.04 I 0.04 V 0.03 HN Overlap>> 1.N325 1.N273 1.E409 1.N397 1.K29 1.N325 1.N273 1.E409 1.N397 1.K29 1.D142 1.D142 C Shift Assignments>> CA :: 58.8(D) CB :: 30.1(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 :: 8.00(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 :: 119.5(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.T357 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 64.7(D) CB :: 69.0 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 :: 8.57(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 :: 112.6(D) Ave N Shift Values>> N :: 115.42(4.75) 1.N358 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.58 D 0.16 Y 0.09 F 0.08 L 0.04 M 0.01 E 0.01 C Shift Assignments>> CA :: 53.4(D) CB :: 38.5(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 :: 7.30(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 :: 116.7(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E359 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 R 0.23 K 0.23 Q 0.08 H 0.04 W 0.04 I 0.03 E 0.02 HN Overlap>> 1.E426 1.E405 1.Q56 1.E426 1.E405 1.Q56 C Shift Assignments>> CA :: 56.2(D) CB :: 26.0(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 :: 7.60(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 :: 119.0(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L360 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.24 K 0.13 F 0.11 N 0.08 Y 0.08 R 0.01 C Shift Assignments>> CA :: 54.7(D) CB :: 41.2(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 :: 7.87(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 :: 116.4(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K361 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.34 Q 0.26 K 0.18 H 0.06 R 0.05 E 0.03 W 0.02 N 0.01 HN Overlap>> 1.F211 1.F211 C Shift Assignments>> CA :: 53.7(D) CB :: 34.0(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.18(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 :: 121.0(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A362 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.73 M 0.25 HN Overlap>> 1.E6 1.E6 C Shift Assignments>> CA :: 52.1(D) CB :: 17.3(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.80(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.8(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D363 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.36 D 0.36 L 0.13 F 0.06 Y 0.05 K 0.01 HN Overlap>> 1.E178 1.R13 1.E178 1.R13 C Shift Assignments>> CA :: 52.6(D) CB :: 40.3(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 :: 8.81(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 :: 125.2(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E364 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 K 0.15 Q 0.14 E 0.12 R 0.12 I 0.11 H 0.1 L 0.03 M 0.01 C Shift Assignments>> CA :: 58.5(D) CB :: 28.3(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 :: 8.89(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 :: 127.9(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E365 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R366 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.15 W 0.15 E 0.14 M 0.12 K 0.11 Q 0.09 V 0.02 C Shift Assignments>> CA :: 57.3(D) CB :: 31.1(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 :: 7.42(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 :: 118.1(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.V367 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.64 V 0.23 P 0.1 W 0.01 C Shift Assignments>> CA :: 66.6(D) CB :: 29.1 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>> H :: 7.88(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 :: 120.6(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K368 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.2 R 0.15 E 0.15 H 0.12 K 0.09 V 0.09 Q 0.07 M 0.07 I 0.02 C Shift Assignments>> CA :: 59.3(D) CB :: 31.0(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 :: 7.64(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 :: 118.8(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G369 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.06 C Shift Assignments>> CA :: 46.4(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.76(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.9(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L370 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.24 K 0.13 F 0.11 Y 0.08 N 0.08 R 0.01 HN Overlap>> 1.K420 1.K420 1.A230 1.A230 C Shift Assignments>> CA :: 54.8(D) CB :: 41.2 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 :: 8.12(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 :: 124.6(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I371 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.43 F 0.28 Y 0.23 K 0.03 L 0.01 HN Overlap>> 1.A135 1.A135 C Shift Assignments>> CA :: 61.6(D) CB :: 40.8(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 :: 7.96(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.8(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E372 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.47 W 0.14 P 0.1 V 0.07 K 0.05 E 0.04 H 0.03 R 0.03 Q 0.02 HN Overlap>> 1.E269 1.L314 1.E269 1.L314 C Shift Assignments>> CA :: 61.9(D) CB :: 29.0 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.96(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 :: 120.9(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E373 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 K 0.16 H 0.15 W 0.14 E 0.14 R 0.12 M 0.04 I 0.01 L 0.01 HN Overlap>> 1.R40 1.R40 C Shift Assignments>> CA :: 56.2(D) CB :: 29.2(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) 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 :: 124.9(D) Ave N Shift Values>> N :: 120.67(3.48) 1.M374 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 K 0.17 H 0.16 W 0.13 R 0.11 E 0.11 L 0.04 M 0.04 I 0.01 HN Overlap>> 1.K146 1.K146 1.T18 1.E114 1.T18 1.E114 C Shift Assignments>> CA :: 55.1(D) CB :: 28.8(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 :: 8.23(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 :: 122.0(D) Ave N Shift Values>> N :: 120.09(3.57) 1.A375 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.73 M 0.26 C Shift Assignments>> CA :: 52.6(D) CB :: 17.7 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.81(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.0(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S376 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.95 S 0.04 HN Overlap>> 1.S30 1.S30 C Shift Assignments>> CA :: 60.0(D) CB :: 67.9 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) 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.A377 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.81 M 0.18 HN Overlap>> 1.Y221 1.Y221 C Shift Assignments>> CA :: 52.1(D) CB :: 18.0(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.30(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.8(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y378 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.3 I 0.1 D 0.06 N 0.06 E 0.04 L 0.04 M 0.01 HN Overlap>> 1.Q328 1.Q328 C Shift Assignments>> CA :: 57.2(D) CB :: 38.6(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 :: 7.70(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 :: 118.5(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E379 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D380 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.52 D 0.32 L 0.08 F 0.03 Y 0.02 C Shift Assignments>> CA :: 50.1(D) CB :: 40.3(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 :: 8.03(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 :: 117.4(D) Ave N Shift Values>> N :: 120.65(3.86) 1.P381 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K382 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.2 E 0.16 R 0.15 H 0.13 Q 0.09 K 0.08 M 0.06 V 0.06 I 0.03 C Shift Assignments>> CA :: 59.0(D) CB :: 30.7(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 :: 7.80(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 :: 115.9(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E383 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.17 W 0.16 Q 0.15 E 0.13 H 0.12 R 0.1 I 0.08 L 0.03 M 0.01 HN Overlap>> 1.K181 1.K181 1.Q289 1.Q289 C Shift Assignments>> CA :: 58.2(D) CB :: 28.5(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 :: 7.41(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 :: 119.5(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V384 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.61 P 0.37 C Shift Assignments>> CA :: 65.3(D) CB :: 32.5 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 :: 7.14(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 :: 121.1(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I385 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.88 F 0.06 Y 0.05 HN Overlap>> 1.A157 1.A157 C Shift Assignments>> CA :: 65.3(D) CB :: 40.4 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 :: 8.04(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 :: 120.6(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E386 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.18 E 0.15 K 0.15 Q 0.13 H 0.12 R 0.11 I 0.08 M 0.02 V 0.01 HN Overlap>> 1.E175 1.E175 C Shift Assignments>> CA :: 58.7(D) CB :: 29.2 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>> H :: 7.81(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.F387 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.32 I 0.28 Y 0.28 K 0.06 L 0.02 C Shift Assignments>> CA :: 60.5(D) CB :: 40.8 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(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 :: 121.5(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Y388 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.48 R 0.16 F 0.14 Y 0.08 I 0.07 L 0.02 K 0.01 C Shift Assignments>> CA :: 61.6(D) CB :: 43.8(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 :: 8.40(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.5(D) Ave N Shift Values>> N :: 120.52(4.2) 1.S389 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 60.8(D) CB :: 62.6(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.81(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 :: 110.9(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K390 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 R 0.16 K 0.16 H 0.15 W 0.11 E 0.09 Q 0.07 V 0.01 C Shift Assignments>> CA :: 55.5(D) CB :: 31.8(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 :: 7.11(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 :: 118.6(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N391 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.67 D 0.19 F 0.04 L 0.04 Y 0.04 HN Overlap>> 1.V54 1.V54 C Shift Assignments>> CA :: 51.7(D) CB :: 39.0(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 :: 7.37(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 :: 121.6(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K392 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.21 I 0.19 E 0.15 Q 0.14 H 0.12 R 0.09 L 0.02 M 0.01 K 0.01 V 0.01 C Shift Assignments>> CA :: 59.2(D) CB :: 28.6(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.39(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 :: 127.2(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E393 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.2 W 0.15 R 0.14 K 0.12 Q 0.11 E 0.1 H 0.08 L 0.04 HN Overlap>> 1.E25 1.E25 C Shift Assignments>> CA :: 59.2(D) CB :: 28.0(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 :: 8.19(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.5(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L394 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.31 F 0.3 D 0.13 L 0.09 N 0.07 I 0.06 C Shift Assignments>> CA :: 56.8(D) CB :: 39.4(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 :: 7.65(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 :: 121.4(D) Ave N Shift Values>> N :: 121.86(3.9) 1.M395 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.2 R 0.16 W 0.14 Q 0.11 K 0.11 E 0.09 H 0.08 L 0.05 C Shift Assignments>> CA :: 59.1(D) CB :: 27.8(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 :: 7.97(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 :: 119.7(D) Ave N Shift Values>> N :: 120.09(3.57) 1.D396 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.32 I 0.11 D 0.07 L 0.05 N 0.04 E 0.02 HN Overlap>> 1.E264 1.D134 1.E264 1.D134 C Shift Assignments>> CA :: 57.4(D) CB :: 38.9(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 :: 8.72(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.1(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N397 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.32 F 0.24 E 0.16 I 0.1 N 0.05 M 0.03 D 0.03 L 0.01 HN Overlap>> 1.F44 1.N325 1.E409 1.F44 1.N325 1.E409 1.R356 1.D142 1.R356 1.D142 C Shift Assignments>> CA :: 57.2(D) CB :: 37.8(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 :: 7.97(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 :: 119.4(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M398 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.2 E 0.14 R 0.14 V 0.12 H 0.11 K 0.08 Q 0.06 M 0.05 I 0.03 P 0.01 C Shift Assignments>> CA :: 59.7(D) CB :: 31.0(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 :: 7.89(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 :: 119.0(D) Ave N Shift Values>> N :: 120.09(3.57) 1.R399 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 K 0.18 H 0.15 W 0.14 E 0.13 R 0.11 L 0.03 M 0.03 I 0.02 HN Overlap>> 1.K416 1.I311 1.K416 1.I311 C Shift Assignments>> CA :: 56.3(D) CB :: 28.8(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 :: 8.57(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 :: 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.N400 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.24 Y 0.22 N 0.16 F 0.15 M 0.08 I 0.04 D 0.03 K 0.01 L 0.01 HN Overlap>> 1.R343 1.R343 C Shift Assignments>> CA :: 55.9(D) CB :: 37.3(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 :: 7.57(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 :: 118.0(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V401 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.44 I 0.36 P 0.16 W 0.01 C Shift Assignments>> CA :: 66.1(D) CB :: 29.9(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 :: 7.83(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 :: 123.5(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A402 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.84 M 0.15 C Shift Assignments>> CA :: 51.7(D) CB :: 18.0(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.10(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.8(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L403 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.23 K 0.11 F 0.11 N 0.1 Y 0.08 R 0.01 HN Overlap>> 1.L144 1.L144 C Shift Assignments>> CA :: 54.5(D) CB :: 41.1(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 :: 8.07(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 :: 123.1(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E404 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.18 R 0.15 E 0.13 H 0.12 K 0.12 V 0.1 M 0.09 Q 0.06 I 0.01 HN Overlap>> 1.A329 1.A318 1.A329 1.A318 C Shift Assignments>> CA :: 59.1(D) CB :: 31.4(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 :: 7.91(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 :: 123.1(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E405 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 I 0.16 K 0.15 Q 0.12 E 0.12 R 0.1 H 0.1 L 0.02 M 0.01 HN Overlap>> 1.Q56 1.E359 1.Q56 1.E359 C Shift Assignments>> CA :: 59.1(D) CB :: 28.4(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 :: 7.67(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 :: 119.0(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q406 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.18 E 0.16 K 0.14 Q 0.13 H 0.13 R 0.12 I 0.06 M 0.03 V 0.01 HN Overlap>> 1.D167 1.D167 C Shift Assignments>> CA :: 58.5(D) CB :: 29.4(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 :: 8.47(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.7(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A407 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.52 A 0.45 I 0.01 HN Overlap>> 1.V5 1.V5 C Shift Assignments>> CA :: 54.3(D) CB :: 17.5(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.71(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.0(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V408 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.66 V 0.21 P 0.1 HN Overlap>> 1.Y112 1.Y112 C Shift Assignments>> CA :: 66.8(D) CB :: 29.0(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.01(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.0(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E409 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.22 R 0.17 W 0.14 Q 0.11 K 0.09 E 0.09 H 0.08 L 0.05 HN Overlap>> 1.F44 1.N325 1.F44 1.N325 1.N397 1.R356 1.D142 1.N397 1.R356 1.D142 C Shift Assignments>> CA :: 59.2(D) CB :: 27.7(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 :: 7.97(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 :: 119.4(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A410 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.68 A 0.3 I 0.01 HN Overlap>> 1.F198 1.F198 C Shift Assignments>> CA :: 54.2(D) CB :: 16.2(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.75(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.4(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V411 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.48 P 0.31 I 0.18 W 0.01 C Shift Assignments>> CA :: 65.6(D) CB :: 30.4(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 :: 7.62(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.L412 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.24 D 0.16 L 0.15 K 0.06 I 0.04 N 0.03 HN Overlap>> 1.E96 1.E96 1.V286 1.V286 C Shift Assignments>> CA :: 56.9(D) CB :: 40.4(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 :: 8.28(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 :: 120.2(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A413 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.55 M 0.43 C Shift Assignments>> CA :: 53.6(D) CB :: 17.4(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.49(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.5(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K414 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.29 Q 0.21 K 0.2 H 0.09 R 0.09 W 0.05 E 0.02 HN Overlap>> 1.L306 1.L306 C Shift Assignments>> CA :: 54.7(D) CB :: 33.2 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 :: 7.04(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 :: 115.5(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A415 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.92 M 0.07 C Shift Assignments>> CA :: 51.1(D) CB :: 18.7(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.01(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.7(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K416 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.19 R 0.18 M 0.13 W 0.13 Q 0.12 E 0.12 K 0.09 HN Overlap>> 1.I311 1.R399 1.I311 1.R399 C Shift Assignments>> CA :: 55.0(D) CB :: 30.8(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.57(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 :: 121.4(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V417 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.35 W 0.14 P 0.11 K 0.08 R 0.08 E 0.06 H 0.06 M 0.05 Q 0.02 I 0.01 C Shift Assignments>> CA :: 60.8(D) CB :: 31.9(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.26(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 :: 129.4(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T418 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 60.0(D) CB :: 70.2(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 :: 8.82(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 :: 124.2(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E419 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.19 R 0.16 Q 0.16 W 0.14 E 0.13 K 0.1 M 0.08 C Shift Assignments>> CA :: 55.1(D) CB :: 30.0(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 :: 8.63(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 :: 124.6(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K420 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.33 Q 0.24 K 0.16 E 0.1 H 0.03 N 0.03 R 0.03 Y 0.01 W 0.01 HN Overlap>> 1.R271 1.L370 1.A230 1.R271 1.L370 1.A230 C Shift Assignments>> CA :: 54.2(D) CB :: 34.7(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.15(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.6(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E421 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.18 Q 0.18 W 0.14 H 0.14 E 0.13 R 0.1 L 0.04 I 0.03 M 0.02 C Shift Assignments>> CA :: 56.9(D) CB :: 28.6(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.02(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 :: 130.8(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T422 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.K287 1.K287 C Shift Assignments>> CA :: 59.2(D) CB :: 69.5(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 :: 8.30(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 :: 120.7(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T423 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 59.6(D) CB :: 71.4(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 :: 8.38(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.F424 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.65 Y 0.17 F 0.15 C Shift Assignments>> CA :: 62.2(D) CB :: 38.8(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.70(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 :: 124.8(D) Ave N Shift Values>> N :: 120.45(4.18) 1.N425 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.25 F 0.19 E 0.19 N 0.15 M 0.05 I 0.05 D 0.05 L 0.02 K 0.01 C Shift Assignments>> CA :: 56.1(D) CB :: 37.6(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 :: 9.25(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 :: 116.1(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E426 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 K 0.16 E 0.14 Q 0.14 H 0.11 I 0.11 R 0.09 M 0.01 L 0.01 HN Overlap>> 1.R321 1.R321 1.R283 1.E359 1.R283 1.E359 C Shift Assignments>> CA :: 58.7(D) CB :: 28.7(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 :: 7.55(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 :: 119.0(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L427 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.21 D 0.2 L 0.19 Y 0.18 K 0.11 N 0.04 I 0.02 HN Overlap>> 1.E175 1.F252 1.E175 1.F252 C Shift Assignments>> CA :: 56.4(D) CB :: 40.8(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 :: 7.90(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 :: 121.1(D) Ave N Shift Values>> N :: 121.86(3.9) 1.M428 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 H 0.18 K 0.15 R 0.13 W 0.13 E 0.11 M 0.05 L 0.01 C Shift Assignments>> CA :: 54.6(D) CB :: 29.3(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 :: 7.87(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 :: 114.6(D) Ave N Shift Values>> N :: 120.09(3.57) 1.N429 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.62 D 0.12 Y 0.08 F 0.07 L 0.03 E 0.02 M 0.02 HN Overlap>> 1.K83 1.K83 C Shift Assignments>> CA :: 53.3(D) CB :: 38.1(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 :: 7.46(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 :: 117.6(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q430 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 Q 0.17 L 0.15 K 0.12 H 0.12 W 0.1 E 0.08 I 0.01 M 0.01 HN Overlap>> 1.E101 1.E101 C Shift Assignments>> CA :: 55.5(D) CB :: 27.9(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 :: 7.67(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.8(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q431 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 K 0.17 H 0.15 W 0.12 R 0.11 E 0.1 L 0.07 M 0.03 I 0.01 C Shift Assignments>> CA :: 55.1(D) CB :: 28.5(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 :: 8.20(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.4(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A432 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.82 M 0.16 C Shift Assignments>> CA :: 53.2(D) CB :: 19.0(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.78(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.6(D) Ave N Shift Values>> N :: 123.23(3.54) ########################################################################### Overall Results: #Consistent: 50 #Clerical: 380 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 387 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 45 Shift Relative Order (SRO) Results: #Consistent: 432 #Suspicious: 0 C Shift Results: #Consistent: 361 #Duplicate: 369 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 23 #Duplicate: 381 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 23 #Duplicate: 381 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.V3 H = 8.25(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.5239e-01 1.V3 N = 123.5(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.0319e-01 1.S4 H = 8.59(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.9929e-01 1.S4 N = 121.9(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.1036e-01 1.V5 H = 8.72(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.2101e-01 1.V5 N = 126.1(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.7461e-01 1.E6 H = 8.79(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.3559e-01 1.E6 N = 126.7(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.3139e-02 1.T7 H = 8.62(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.3994e-01 1.T7 N = 119.1(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.3850e-01 1.T8 H = 7.58(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.8709e-01 1.T8 N = 118.2(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.5837e-01 1.Q9 H = 8.11(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.5210e-01 1.Q9 N = 120.0(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.7562e-01 1.G10 H = 8.95(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.4016e-01 1.G10 N = 115.5(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.3195e-01 1.L11 H = 8.90(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.0265e-01 1.L11 N = 129.9(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.9252e-02 1.G12 H = 8.43(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.7773e-01 1.G12 N = 107.6(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.9273e-01 1.R13 H = 8.81(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.5008e-01 1.R13 N = 125.1(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.4261e-01 1.R14 H = 8.58(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.7727e-01 1.R14 N = 121.1(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.3503e-01 1.V15 H = 9.23(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.6062e-01 1.V15 N = 127.7(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.4848e-01 1.T16 H = 8.86(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.1731e-01 1.T16 N = 125.8(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.8870e-02 1.I17 H = 8.61(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.2747e-01 1.I17 N = 130.1(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.3519e-02 1.T18 H = 8.23(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.8713e-01 1.T18 N = 122.1(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.5963e-01 1.I19 H = 9.78(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.7392e-02 1.I19 N = 128.0(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.2650e-01 1.A20 H = 8.43(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0147e-01 1.A20 N = 129.5(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.6530e-02 1.A21 H = 9.26(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.7284e-02 1.A21 N = 126.9(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.9986e-01 1.D22 H = 8.82(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.7923e-01 1.D22 N = 115.8(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.0894e-01 1.S23 H = 7.52(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.9770e-01 1.S23 N = 116.9(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.6019e-01 1.I24 H = 7.27(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.3747e-01 1.I24 N = 123.2(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.8434e-01 1.T26 H = 8.16(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.9733e-01 1.T26 N = 115.9(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.1951e-01 1.V28 H = 8.57(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.7601e-01 1.V28 N = 120.4(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.7052e-01 1.K29 H = 8.03(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.8973e-01 1.K29 N = 119.6(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.0052e-01 1.S30 H = 7.79(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.0625e-01 1.S30 N = 113.1(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.6631e-01 1.E31 H = 7.76(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.3399e-01 1.E31 N = 122.7(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.5967e-01 1.L32 H = 8.51(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.6664e-01 1.L32 N = 121.6(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.4685e-01 1.V33 H = 7.53(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.5666e-01 1.V33 N = 119.2(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.6915e-01 1.N34 H = 7.15(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.8907e-02 1.N34 N = 118.8(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.7427e-01 1.V35 H = 8.35(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.2864e-01 1.V35 N = 122.5(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.6451e-01 1.A36 H = 8.17(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6012e-01 1.A36 N = 121.2(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.6634e-01 1.K37 H = 7.26(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.2114e-01 1.K37 N = 115.1(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.1451e-01 1.R40 H = 8.26(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.7384e-01 1.R40 N = 124.9(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.6522e-01 1.I41 H = 7.97(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.4847e-01 1.I41 N = 124.7(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.4904e-01 1.D42 H = 8.47(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.8265e-01 1.D42 N = 125.7(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.9077e-01 1.G43 H = 8.34(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.8773e-01 1.G43 N = 110.6(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.1009e-01 1.F44 H = 7.97(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.8805e-01 1.F44 N = 119.3(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.8322e-01 1.R45 H = 8.57(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.8852e-01 1.R45 N = 123.0(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.4996e-01 1.G47 H = 8.75(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.1818e-01 1.G47 N = 114.3(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.3155e-01 1.K48 H = 7.98(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.2634e-01 1.K48 N = 120.1(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.0105e-01 1.V49 H = 8.01(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.7601e-01 1.V49 N = 124.4(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.7272e-01 1.N52 H = 8.66(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.1150e-01 1.N52 N = 123.8(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.2688e-01 1.I53 H = 7.13(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.0803e-02 1.I53 N = 122.2(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.6273e-01 1.V54 H = 7.44(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.0456e-01 1.V54 N = 121.6(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.1930e-01 1.Q56 H = 7.63(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.1731e-01 1.Q56 N = 119.1(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.2630e-01 1.R57 H = 7.93(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.1132e-01 1.R57 N = 117.6(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.8454e-01 1.Y58 H = 8.47(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.3720e-01 1.Y58 N = 115.3(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.1392e-01 1.G59 H = 8.05(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.6664e-01 1.G59 N = 109.8(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.7320e-01 1.A60 H = 8.36(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.8973e-01 1.A60 N = 123.6(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.1676e-01 1.S61 H = 7.98(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.1112e-01 1.S61 N = 115.9(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.1403e-01 1.V62 H = 8.25(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.5239e-01 1.V62 N = 123.1(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.6595e-01 1.R63 H = 8.15(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.8271e-01 1.R63 N = 119.5(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.2389e-01 1.Q64 H = 7.36(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.4494e-01 1.Q64 N = 117.3(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.7187e-01 1.D65 H = 7.81(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.8865e-01 1.D65 N = 122.3(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.6904e-01 1.L67 H = 8.14(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.8988e-01 1.L67 N = 120.5(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.2730e-01 1.G68 H = 7.57(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.4231e-01 1.G68 N = 105.7(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.0497e-01 1.D69 H = 7.61(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.2747e-01 1.D69 N = 123.6(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.4472e-01 1.R73 H = 8.68(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.7072e-01 1.R73 N = 121.9(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.6501e-01 1.N74 H = 8.19(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.1181e-01 1.N74 N = 114.7(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.9389e-01 1.F75 H = 7.61(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.9757e-01 1.F75 N = 121.8(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.4672e-01 1.I76 H = 8.16(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.5992e-01 1.I76 N = 121.9(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.1812e-01 1.D77 H = 7.51(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.6780e-01 1.D77 N = 117.0(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.4435e-01 1.I79 H = 7.93(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.0676e-01 1.I79 N = 114.0(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.1335e-02 1.I80 H = 7.74(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.2713e-01 1.I80 N = 123.2(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.8434e-01 1.K81 H = 7.70(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.1412e-01 1.K81 N = 122.2(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.6034e-01 1.E82 H = 7.89(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.5581e-01 1.E82 N = 115.4(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.2993e-01 1.K83 H = 7.51(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.5707e-01 1.K83 N = 117.5(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.4637e-01 1.I84 H = 7.82(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.9874e-01 1.I84 N = 119.9(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.1549e-01 1.N85 H = 8.57(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.1505e-01 1.N85 N = 125.0(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.3201e-01 1.G88 H = 7.42(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.6151e-01 1.G88 N = 107.5(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.7499e-01 1.A89 H = 8.32(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.4148e-01 1.A89 N = 124.7(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.7796e-01 1.T91 H = 8.74(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.1998e-01 1.T91 N = 118.3(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.4431e-01 1.Y92 H = 8.96(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.8064e-01 1.Y92 N = 127.2(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.1173e-01 1.V93 H = 9.41(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.4595e-02 1.V93 N = 125.2(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.7118e-01 1.E96 H = 8.30(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.5945e-01 1.E96 N = 120.3(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.1533e-01 1.Y97 H = 8.81(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.0207e-01 1.Y97 N = 127.7(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.7354e-02 1.K98 H = 8.28(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.8076e-01 1.K98 N = 131.6(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.1355e-03 1.L99 H = 7.84(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.4851e-01 1.L99 N = 125.1(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.0610e-01 1.G100 H = 8.14(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.7005e-01 1.G100 N = 113.8(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.8589e-01 1.E101 H = 7.76(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.3399e-01 1.E101 N = 119.8(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.0259e-01 1.D102 H = 8.54(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.9170e-01 1.D102 N = 122.5(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.3174e-01 1.F103 H = 8.78(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.5967e-01 1.F103 N = 123.9(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.0917e-01 1.T104 H = 8.30(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.2291e-01 1.T104 N = 126.9(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.5656e-02 1.Y105 H = 8.82(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.9339e-01 1.Y105 N = 122.7(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.0373e-01 1.S106 H = 8.07(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.2189e-01 1.S106 N = 112.9(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.3694e-01 1.V107 H = 8.96(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.1731e-01 1.V107 N = 122.4(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.8137e-01 1.E108 H = 8.88(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.5123e-01 1.E108 N = 126.3(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.0570e-01 1.F109 H = 7.74(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.8918e-01 1.F109 N = 117.8(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.2610e-01 1.E110 H = 8.52(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.4743e-01 1.E110 N = 119.0(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.3131e-01 1.V111 H = 8.03(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.9797e-01 1.V111 N = 114.6(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.4972e-01 1.Y112 H = 8.02(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.8110e-01 1.Y112 N = 119.1(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.3529e-01 1.E114 CA = 55.8(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.6706e-01 1.E114 CB = 29.3(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.7976e-01 1.E114 H = 8.28(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.3246e-01 1.E114 N = 122.0(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.0232e-01 1.V115 CA = 61.5(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.2923e-01 1.V115 CB = 31.8(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.0337e-01 1.V115 H = 8.03(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.9797e-01 1.V115 N = 121.4(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.5433e-01 1.E116 CA = 55.6(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.1053e-01 1.E116 CB = 29.5(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.6684e-01 1.E116 H = 8.31(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7296e-01 1.E116 N = 126.2(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.1204e-01 1.L117 CA = 56.0(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.5841e-01 1.L117 CB = 42.1(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1106e-01 1.L117 H = 7.81(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.1818e-01 1.L117 N = 130.7(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.3411e-02 1.Q118 CA = 53.5(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.5141e-01 1.Q118 CB = 30.7(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.0673e-01 1.Q118 H = 9.36(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.3334e-02 1.Q118 N = 122.8(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.1890e-01 1.G119 CA = 45.9(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.8148e-01 1.G119 H = 8.40(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.1424e-01 1.G119 N = 105.3(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.5881e-01 1.L120 CA = 57.8(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.0608e-01 1.L120 CB = 39.5(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.3500e-01 1.L120 H = 8.02(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.4664e-01 1.L120 N = 121.5(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.2645e-01 1.E121 CA = 56.5(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.9480e-01 1.E121 CB = 27.4(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.2915e-01 1.E121 H = 8.58(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.7176e-01 1.E121 N = 113.3(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.4191e-02 1.A122 CA = 50.2(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.3758e-01 1.A122 CB = 18.6(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.2272e-01 1.A122 H = 7.19(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.2311e-02 1.A122 N = 120.4(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.2404e-01 1.I123 CA = 62.3(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.9682e-01 1.I123 CB = 37.1(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.4880e-01 1.I123 H = 6.99(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.7820e-02 1.I123 N = 123.0(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.1899e-01 1.E124 CA = 54.6(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.9311e-01 1.E124 CB = 30.2(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.1204e-01 1.E124 H = 8.17(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.8625e-01 1.E124 N = 127.6(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.6439e-02 1.V125 CA = 60.1(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.0334e-01 1.V125 CB = 34.9(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.2540e-01 1.V125 H = 8.34(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.4051e-01 1.V125 N = 123.6(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.8792e-01 1.E126 CA = 53.9(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.0176e-01 1.E126 CB = 30.3(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.6611e-01 1.E126 H = 9.04(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.2883e-01 1.E126 N = 128.1(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.2756e-02 1.K127 CA = 52.0(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.4449e-02 1.K127 CB = 33.7(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.0919e-01 1.K127 H = 9.15(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.0960e-01 1.K127 N = 131.4(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.0445e-03 1.I129 CA = 58.8(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.9440e-01 1.I129 CB = 36.3(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.4872e-01 1.I129 H = 8.02(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.0220e-01 1.I129 N = 125.2(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.8221e-01 1.V130 CA = 59.3(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.6469e-01 1.V130 CB = 32.9(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.2434e-01 1.V130 H = 7.93(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.9105e-01 1.V130 N = 126.2(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.6505e-01 1.E131 CA = 53.5(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.7587e-02 1.E131 CB = 31.8(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.9802e-01 1.E131 H = 8.43(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.6541e-01 1.E131 N = 125.7(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.4834e-01 1.V132 CA = 62.2(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.1923e-01 1.V132 CB = 30.4(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.9303e-01 1.V132 H = 8.56(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.8696e-01 1.V132 N = 122.1(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.3253e-01 1.T133 CA = 59.9(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.7038e-01 1.T133 CB = 71.5(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.7753e-01 1.T133 H = 9.56(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.3252e-02 1.T133 N = 123.2(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.0144e-01 1.D134 CA = 57.5(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.6629e-01 1.D134 CB = 39.2(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.9972e-01 1.D134 H = 8.72(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.7963e-01 1.D134 N = 121.2(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.8670e-01 1.A135 CA = 54.4(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.2454e-01 1.A135 CB = 17.0(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.7205e-01 1.A135 H = 7.95(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.7692e-01 1.A135 N = 121.8(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.8625e-01 1.D136 CA = 56.9(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.7630e-01 1.D136 CB = 39.5(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.9430e-01 1.D136 H = 7.74(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.2573e-01 1.D136 N = 121.6(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.0559e-01 1.V137 CA = 65.8(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.4713e-01 1.V137 CB = 30.6(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.3407e-01 1.V137 H = 7.51(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.4435e-01 1.V137 N = 123.1(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.6595e-01 1.D138 CA = 57.2(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.1629e-01 1.D138 CB = 39.1(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.7187e-01 1.D138 H = 8.58(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.4156e-01 1.D138 N = 120.7(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.8967e-01 1.G139 CA = 46.3(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.7835e-01 1.G139 H = 8.03(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.4441e-01 1.G139 N = 107.7(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.1072e-01 1.M140 CA = 56.4(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.9653e-01 1.M140 CB = 30.5(D), Expected = 32.99, Std = 2.2400, ChiSquare = 2.6631e-01 1.M140 H = 7.58(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.5707e-01 1.M140 N = 123.9(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.8587e-01 1.L141 CA = 58.2(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.2579e-01 1.L141 H = 8.40(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.9368e-01 1.L141 N = 121.9(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.9182e-01 1.D142 H = 7.97(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.5774e-01 1.D142 N = 119.4(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.4606e-01 1.T143 CA = 66.1(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.3411e-01 1.T143 CB = 68.1(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.1731e-01 1.T143 H = 7.80(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.7790e-01 1.T143 N = 117.8(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.1633e-01 1.L144 CA = 54.9(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.3534e-01 1.L144 CB = 41.0(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.8592e-01 1.L144 H = 8.04(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.7005e-01 1.L144 N = 123.0(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.7005e-01 1.Q147 CA = 55.9(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.5422e-01 1.Q147 H = 8.34(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.3883e-01 1.Q147 N = 123.6(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.0275e-01 1.Q148 CA = 56.0(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.8997e-01 1.Q148 CB = 32.0(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.2260e-01 1.Q148 H = 8.15(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.0556e-01 1.Q148 N = 122.6(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.5158e-01 1.K152 H = 9.44(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.7221e-02 1.K152 N = 122.2(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.6034e-01 1.E153 H = 8.76(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.6612e-01 1.E153 N = 124.7(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.4685e-01 1.K154 H = 8.71(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.8612e-01 1.K154 N = 124.5(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.6013e-01 1.D155 H = 8.60(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.1707e-01 1.D155 N = 124.4(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.3130e-01 1.G156 H = 7.15(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.9465e-02 1.G156 N = 107.0(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.9024e-01 1.A157 H = 8.11(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.8076e-01 1.A157 N = 120.6(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.5752e-01 1.V158 H = 8.61(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.3293e-01 1.V158 N = 119.8(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.6788e-01 1.E159 H = 9.52(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.3701e-02 1.E159 N = 132.7(S), Expected = 120.67, Std = 3.4800, ChiSquare = 5.4643e-04 1.A160 H = 8.16(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.4685e-01 1.A160 N = 118.0(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.3957e-01 1.E161 H = 8.00(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.7594e-01 1.E161 N = 112.6(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.0397e-02 1.D162 H = 7.15(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.5500e-02 1.D162 N = 123.4(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.7620e-01 1.R163 H = 8.76(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.9396e-01 1.R163 N = 119.1(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.4411e-01 1.V164 H = 8.89(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.7051e-01 1.V164 N = 120.2(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.3597e-01 1.T165 H = 8.35(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.5918e-01 1.T165 N = 119.8(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.5647e-01 1.I166 H = 9.46(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.2689e-02 1.I166 N = 120.4(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.0439e-01 1.D167 H = 8.42(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.4958e-01 1.D167 N = 119.7(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.0559e-01 1.F168 H = 8.46(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.8954e-01 1.F168 N = 115.4(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.2700e-01 1.T169 H = 8.41(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.8394e-01 1.T169 N = 115.5(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.8656e-01 1.G170 H = 9.32(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.2774e-01 1.G170 N = 119.9(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.2075e-03 1.S171 H = 8.84(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.4254e-01 1.S171 N = 115.8(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.9153e-01 1.V172 H = 8.81(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.3768e-01 1.V172 N = 121.3(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.7189e-01 1.D173 H = 9.47(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.5500e-02 1.D173 N = 129.9(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.6558e-02 1.G174 H = 8.48(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.1749e-01 1.G174 N = 102.8(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.5866e-02 1.E175 H = 7.80(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.6902e-01 1.E175 N = 121.1(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.0166e-01 1.E176 H = 8.65(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.8756e-01 1.E176 N = 125.5(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.6516e-01 1.F177 H = 7.11(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.2544e-02 1.F177 N = 117.3(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.5110e-01 1.E178 H = 8.91(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.2558e-01 1.E178 N = 125.2(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.9301e-01 1.G179 H = 8.83(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.4176e-01 1.G179 N = 114.9(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.7656e-01 1.G180 H = 7.79(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.0610e-01 1.G180 N = 108.3(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.2333e-01 1.K181 H = 7.39(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.8242e-01 1.K181 N = 119.5(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.8097e-01 1.A182 H = 7.93(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.5271e-01 1.A182 N = 126.1(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.1752e-01 1.S183 H = 8.27(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.8648e-01 1.S183 N = 116.1(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.5922e-01 1.D184 H = 9.52(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.6960e-02 1.D184 N = 124.2(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.5774e-01 1.F185 H = 9.03(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.5208e-01 1.F185 N = 122.1(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.9304e-01 1.V186 H = 7.77(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.3768e-01 1.V186 N = 130.0(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.0993e-02 1.L187 H = 9.20(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.3562e-01 1.L187 N = 131.9(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.0043e-02 1.A188 H = 8.44(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.8916e-01 1.A188 N = 133.0(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.7821e-03 1.M189 H = 8.47(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.2634e-01 1.M189 N = 125.9(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.0364e-01 1.G190 H = 10.07(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.4302e-03 1.G190 N = 110.5(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.3018e-01 1.Q191 H = 8.91(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.4221e-01 1.Q191 N = 119.1(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.2630e-01 1.G192 H = 9.00(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.0265e-01 1.G192 N = 111.7(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.9990e-01 1.I195 H = 7.49(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.4533e-01 1.I195 N = 116.4(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.3711e-01 1.F198 H = 7.66(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.3094e-01 1.F198 N = 123.4(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.8035e-01 1.G201 H = 7.28(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.0623e-01 1.G201 N = 103.9(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.3597e-01 1.I202 H = 7.21(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.1560e-01 1.I202 N = 119.5(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.4699e-01 1.K203 H = 6.89(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.0260e-02 1.K203 N = 118.1(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.3392e-01 1.G204 H = 8.78(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.8874e-01 1.G204 N = 109.9(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.5261e-01 1.H205 H = 7.39(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.1130e-01 1.H205 N = 118.4(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.4707e-01 1.K206 H = 8.49(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.1707e-01 1.K206 N = 118.5(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.9879e-01 1.A207 H = 8.63(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.7358e-01 1.A207 N = 121.7(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.6559e-01 1.G208 H = 9.06(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.6140e-01 1.G208 N = 111.3(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.7362e-01 1.E209 H = 7.79(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.6006e-01 1.E209 N = 120.4(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.3816e-01 1.E210 H = 8.16(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.7324e-01 1.E210 N = 120.3(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.1533e-01 1.F211 H = 8.15(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.7054e-01 1.F211 N = 121.0(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.9532e-01 1.T212 H = 8.59(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.7240e-01 1.T212 N = 115.8(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.3624e-01 1.I213 H = 8.85(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.0190e-01 1.I213 N = 120.2(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.6846e-01 1.D214 H = 8.35(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.4502e-01 1.D214 N = 123.8(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.1446e-01 1.V215 H = 8.49(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.6532e-01 1.V215 N = 119.1(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.5319e-01 1.T216 H = 8.44(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.4701e-01 1.T216 N = 120.7(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.6632e-01 1.F217 H = 8.79(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.5036e-01 1.F217 N = 128.1(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.7229e-02 1.E219 H = 8.81(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.1590e-01 1.E219 N = 123.7(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.8392e-01 1.E220 H = 8.10(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.9666e-01 1.E220 N = 115.2(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.1599e-01 1.Y221 H = 7.32(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.7073e-01 1.Y221 N = 122.7(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.0373e-01 1.H222 H = 6.78(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.1789e-02 1.H222 N = 121.2(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.0580e-01 1.A223 H = 5.47(S), Expected = 8.20, Std = 0.6000, ChiSquare = 5.3646e-06 1.A223 N = 123.2(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.9324e-01 1.E224 H = 8.83(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.9674e-01 1.E224 N = 127.6(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.6439e-02 1.N225 H = 8.61(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.6823e-01 1.N225 N = 113.4(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.7000e-01 1.L226 H = 6.98(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.4470e-02 1.L226 N = 117.9(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.0992e-01 1.K227 H = 6.90(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.1555e-02 1.K227 N = 118.0(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.1850e-01 1.G228 H = 7.02(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.3864e-02 1.G228 N = 111.8(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.8205e-01 1.K229 H = 7.76(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.7358e-01 1.K229 N = 119.9(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.6034e-01 1.A230 H = 8.16(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.4685e-01 1.A230 N = 124.7(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.7796e-01 1.A231 H = 9.15(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.1335e-01 1.A231 N = 127.1(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.7430e-01 1.K232 H = 8.52(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.8232e-01 1.K232 N = 121.2(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.6826e-01 1.F233 H = 9.01(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.6664e-01 1.F233 N = 119.9(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.9532e-01 1.A234 H = 8.51(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.0539e-01 1.A234 N = 128.4(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.4417e-01 1.I235 H = 9.00(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.8968e-01 1.I235 N = 126.8(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.1215e-01 1.N236 H = 8.47(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.3652e-01 1.N236 N = 124.8(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.4523e-01 1.L237 H = 8.48(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.0052e-01 1.L237 N = 128.0(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.1540e-01 1.K238 H = 8.55(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.4851e-01 1.K238 N = 128.0(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.5256e-02 1.K239 H = 7.49(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.4334e-01 1.K239 N = 118.3(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.6573e-01 1.V240 H = 9.02(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.7591e-01 1.V240 N = 126.8(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.1251e-01 1.E241 H = 9.22(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.3143e-01 1.E241 N = 125.6(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.5658e-01 1.E242 H = 9.38(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.5132e-02 1.E242 N = 118.1(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.6021e-01 1.E247 H = 8.56(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.9666e-01 1.E247 N = 122.0(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.0232e-01 1.L248 CA = 53.0(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.1868e-01 1.L248 CB = 38.1(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.5132e-02 1.L248 H = 8.14(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.8988e-01 1.L248 N = 121.2(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.6562e-01 1.T249 CA = 60.2(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.3544e-01 1.T249 H = 7.58(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.8709e-01 1.T249 N = 114.4(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.2997e-01 1.A250 CA = 54.6(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.6090e-01 1.A250 CB = 17.2(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.2263e-01 1.A250 H = 8.67(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.3343e-01 1.A250 N = 123.8(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.7208e-01 1.E251 H = 7.81(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.7813e-01 1.E251 N = 119.4(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.1515e-01 1.F252 H = 7.88(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.0499e-01 1.F252 N = 121.0(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.9532e-01 1.I253 H = 7.80(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.8026e-01 1.I253 N = 120.1(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.5067e-01 1.G257 CA = 44.6(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.7568e-01 1.G257 H = 8.27(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2645e-01 1.G257 N = 110.4(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.5038e-01 1.V258 CA = 60.7(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.3140e-01 1.V258 CB = 31.4(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.5747e-01 1.V258 H = 7.86(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.2101e-01 1.V258 N = 122.2(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.1539e-01 1.E259 CA = 58.6(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.4025e-01 1.E259 CB = 28.8(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.8175e-01 1.E259 H = 8.47(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.1243e-01 1.E259 N = 128.0(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.5176e-02 1.D260 CA = 53.1(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.3348e-01 1.D260 CB = 39.6(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.2946e-01 1.D260 H = 8.10(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.1730e-01 1.D260 N = 116.1(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.3850e-01 1.G261 CA = 46.3(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.7835e-01 1.G261 H = 7.96(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.6920e-01 1.G261 N = 107.9(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.4741e-01 1.S262 CA = 57.2(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.6277e-01 1.S262 CB = 64.8(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.9925e-01 1.S262 H = 8.05(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.9666e-01 1.S262 N = 115.7(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.6912e-01 1.V263 CA = 65.2(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.4336e-01 1.V263 CB = 30.3(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.7461e-01 1.V263 H = 8.60(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.4359e-01 1.V263 N = 124.1(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.1441e-01 1.E264 CA = 59.2(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.6838e-01 1.E264 CB = 27.6(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.6117e-01 1.E264 H = 8.73(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.9779e-01 1.E264 N = 121.2(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.7895e-01 1.G265 CA = 44.7(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.2762e-01 1.G265 H = 8.27(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2645e-01 1.G265 N = 110.7(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.9012e-01 1.L266 CA = 54.7(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.6580e-01 1.L266 CB = 41.1(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.1982e-01 1.L266 H = 7.97(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.8916e-01 1.L266 N = 122.3(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.1017e-01 1.R267 CA = 56.2(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.0510e-01 1.R267 CB = 29.0(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.5291e-01 1.R267 H = 8.26(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.7384e-01 1.R267 N = 121.4(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.7048e-01 1.A268 CA = 51.6(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.3670e-01 1.A268 CB = 18.0(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.8101e-01 1.A268 H = 8.05(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.0259e-01 1.A268 N = 125.2(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.7787e-01 1.R271 H = 8.19(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.3467e-01 1.R271 N = 124.7(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.8924e-01 1.K272 CA = 55.0(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.7542e-01 1.K272 CB = 31.5(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.6862e-01 1.K272 H = 7.95(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.8916e-01 1.K272 N = 120.1(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.0105e-01 1.N273 CA = 52.8(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.9386e-01 1.N273 CB = 37.9(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.4017e-01 1.N273 H = 8.11(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.1505e-01 1.N273 N = 119.5(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.8752e-01 1.M274 CA = 55.3(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.1643e-01 1.M274 CB = 28.4(D), Expected = 32.99, Std = 2.2400, ChiSquare = 4.0452e-02 1.M274 H = 8.11(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.0259e-01 1.M274 N = 120.9(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.2051e-01 1.E277 H = 8.18(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.9931e-01 1.E277 N = 120.5(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.6104e-01 1.L278 CA = 57.3(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.3027e-01 1.L278 CB = 40.9(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.5325e-01 1.L278 H = 8.79(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.8894e-01 1.L278 N = 122.5(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.6965e-01 1.K279 CA = 59.8(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.9516e-01 1.K279 CB = 28.6(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.8576e-02 1.K279 H = 7.92(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.5271e-01 1.K279 N = 120.1(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.0105e-01 1.S280 CA = 60.7(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.3881e-01 1.S280 CB = 62.0(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.2390e-01 1.S280 H = 7.49(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.8058e-01 1.S280 N = 114.5(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.1308e-01 1.A281 CA = 54.6(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.6090e-01 1.A281 CB = 17.7(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.7409e-01 1.A281 H = 8.08(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.4148e-01 1.A281 N = 125.7(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.8534e-01 1.I282 CA = 66.1(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.3861e-02 1.I282 CB = 37.2(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.7899e-01 1.I282 H = 8.66(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.7628e-01 1.I282 N = 120.7(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.5906e-01 1.R283 CA = 58.7(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.0344e-01 1.R283 CB = 28.7(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.7444e-01 1.R283 H = 7.54(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.5116e-01 1.R283 N = 119.1(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.4411e-01 1.N284 CA = 55.7(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.5058e-01 1.N284 CB = 37.6(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.1895e-01 1.N284 H = 8.26(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.9895e-01 1.N284 N = 117.5(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.2271e-01 1.R285 CA = 57.6(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.1936e-01 1.R285 CB = 28.5(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.2929e-01 1.R285 H = 8.14(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.6978e-01 1.R285 N = 123.4(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.7986e-01 1.V286 CA = 66.4(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.7158e-01 1.V286 CB = 27.7(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.9533e-03 1.V286 H = 8.24(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.4051e-01 1.V286 N = 120.1(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.1881e-01 1.K287 CA = 59.6(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.2838e-01 1.K287 CB = 28.4(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.3652e-02 1.K287 H = 8.20(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.8670e-01 1.K287 N = 120.7(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.2603e-01 1.S288 CA = 61.3(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.1263e-01 1.S288 CB = 62.2(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.7966e-01 1.S288 H = 8.23(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.3246e-01 1.S288 N = 112.7(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.0913e-01 1.Q289 CA = 58.3(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.1885e-01 1.Q289 CB = 31.3(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.4632e-01 1.Q289 H = 7.30(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.1892e-01 1.Q289 N = 119.5(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.1373e-01 1.A290 CA = 54.8(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.0182e-01 1.A290 CB = 16.6(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.8786e-01 1.A290 H = 8.09(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.5454e-01 1.A290 N = 124.3(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.6245e-01 1.I291 CA = 64.2(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.3384e-01 1.I291 CB = 35.9(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.7654e-01 1.I291 H = 8.28(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.0000e+00 1.I291 N = 116.6(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.5616e-01 1.E292 CA = 58.7(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.0907e-01 1.E292 CB = 28.2(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.9265e-01 1.E292 H = 8.14(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.4743e-01 1.E292 N = 119.6(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.5848e-01 1.G293 CA = 46.6(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.5090e-01 1.G293 H = 7.95(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.5881e-01 1.G293 N = 105.1(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.3765e-01 1.L294 CA = 57.6(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.5259e-01 1.L294 CB = 41.8(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.8618e-01 1.L294 H = 7.94(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5549e-01 1.L294 N = 125.0(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.2075e-01 1.V295 CA = 65.3(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.2585e-01 1.V295 CB = 30.7(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.5676e-01 1.V295 H = 8.25(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.5239e-01 1.V295 N = 119.9(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.8475e-01 1.K296 CA = 58.3(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.3946e-01 1.K296 CB = 31.2(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.7172e-01 1.K296 H = 8.09(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.6763e-01 1.K296 N = 119.1(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.0499e-01 1.A297 CA = 51.8(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.9855e-01 1.A297 CB = 19.3(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.7409e-01 1.A297 H = 7.05(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.5280e-02 1.A297 N = 117.0(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.8427e-02 1.N298 CA = 52.1(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.4370e-01 1.N298 CB = 41.6(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.5089e-02 1.N298 H = 7.23(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.8085e-02 1.N298 N = 118.9(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.9406e-01 1.D299 CA = 53.4(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.2512e-01 1.D299 CB = 39.3(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.2941e-01 1.D299 H = 8.16(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.9593e-01 1.D299 N = 122.9(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.5996e-01 1.I300 CA = 59.6(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.5325e-01 1.I300 CB = 39.5(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.6669e-01 1.I300 H = 7.55(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.8303e-01 1.I300 N = 119.9(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.1549e-01 1.D301 CA = 53.0(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.0512e-01 1.D301 CB = 40.6(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.6278e-01 1.D301 H = 8.32(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.8624e-01 1.D301 N = 123.6(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.4472e-01 1.V302 CA = 61.5(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.2923e-01 1.V302 CB = 31.7(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.6501e-01 1.V302 H = 7.99(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.5433e-01 1.V302 N = 122.1(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.3253e-01 1.A304 CA = 54.7(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.3077e-01 1.A304 CB = 17.4(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.7898e-01 1.A304 H = 8.57(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.3745e-01 1.A304 N = 128.5(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.3657e-01 1.A305 CA = 54.4(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.2454e-01 1.A305 CB = 17.4(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.7898e-01 1.A305 H = 8.66(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.4328e-01 1.A305 N = 117.8(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.2505e-01 1.L306 CA = 56.5(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.7950e-01 1.L306 CB = 40.6(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.6305e-01 1.L306 H = 7.07(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.4324e-02 1.L306 N = 115.6(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.0847e-01 1.I307 CA = 64.4(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.9785e-01 1.I307 CB = 36.3(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.4872e-01 1.I307 H = 7.08(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.7613e-02 1.I307 N = 121.0(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.1441e-01 1.D308 CA = 57.3(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.9854e-01 1.D308 CB = 39.1(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.7187e-01 1.D308 H = 8.36(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.3130e-01 1.D308 N = 120.1(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.8670e-01 1.S309 CA = 61.0(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.7070e-01 1.S309 CB = 62.0(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.2390e-01 1.S309 H = 7.56(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.2234e-01 1.S309 N = 114.4(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.9328e-01 1.E310 CA = 57.4(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.6947e-01 1.E310 CB = 28.2(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.9265e-01 1.E310 H = 7.53(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.7512e-01 1.E310 N = 123.9(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.5332e-01 1.I311 CA = 66.0(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.0141e-01 1.I311 CB = 36.3(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.4872e-01 1.I311 H = 8.61(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.2747e-01 1.I311 N = 121.5(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.9254e-01 1.D312 CA = 57.4(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.8188e-01 1.D312 CB = 39.2(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.9972e-01 1.D312 H = 7.23(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.2594e-02 1.D312 N = 119.4(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.4606e-01 1.V313 CA = 66.1(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.0686e-01 1.V313 CB = 30.5(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.1283e-01 1.V313 H = 7.30(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.3951e-01 1.V313 N = 121.2(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.8946e-01 1.L314 CA = 55.9(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.9542e-01 1.L314 CB = 40.9(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.5325e-01 1.L314 H = 7.96(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.7786e-01 1.L314 N = 121.0(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.2547e-01 1.R315 CA = 54.8(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.9376e-01 1.R315 CB = 31.8(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.4778e-01 1.R315 H = 8.00(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.9399e-01 1.R315 N = 121.4(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.7048e-01 1.R316 CA = 56.2(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.0510e-01 1.R316 CB = 29.1(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.8195e-01 1.R316 H = 8.33(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.8271e-01 1.R316 N = 122.7(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.0564e-01 1.Q317 CA = 59.6(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.5681e-01 1.Q317 CB = 27.8(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.4502e-01 1.Q317 H = 8.16(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.1900e-01 1.Q317 N = 120.5(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.6545e-01 1.A318 CA = 53.6(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.1629e-01 1.A318 CB = 17.7(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.7409e-01 1.A318 H = 7.86(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.7094e-01 1.A318 N = 123.0(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.4820e-01 1.A319 CA = 53.6(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.1629e-01 1.A319 CB = 17.1(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.9662e-01 1.A319 H = 7.89(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.0539e-01 1.A319 N = 120.1(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.7660e-01 1.Q320 CA = 57.4(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.9813e-01 1.Q320 CB = 27.3(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.9906e-01 1.Q320 H = 7.61(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.0118e-01 1.Q320 N = 117.5(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.0676e-01 1.R321 CA = 57.4(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.8506e-01 1.R321 CB = 28.9(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.2531e-01 1.R321 H = 7.47(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.0684e-01 1.R321 N = 119.0(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.2475e-01 1.F322 CA = 56.2(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.6446e-01 1.F322 CB = 37.9(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.1731e-01 1.F322 H = 7.52(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.4334e-01 1.F322 N = 117.1(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.2288e-01 1.G323 CA = 45.4(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7024e-01 1.G323 H = 7.83(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.4176e-01 1.G323 N = 110.6(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.1009e-01 1.G324 CA = 44.4(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.7835e-01 1.G324 H = 8.01(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.2250e-01 1.G324 N = 108.6(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.8217e-01 1.N325 CA = 51.9(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.8302e-01 1.N325 CB = 38.3(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.1749e-01 1.N325 H = 8.04(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.3394e-01 1.N325 N = 119.4(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.0716e-01 1.E326 CA = 58.3(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.3914e-01 1.E326 CB = 28.7(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.4628e-01 1.E326 H = 8.48(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.9931e-01 1.E326 N = 121.9(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.2375e-01 1.K327 CA = 58.0(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.3317e-01 1.K327 CB = 30.9(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.8833e-01 1.K327 H = 7.96(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.0147e-01 1.K327 N = 120.1(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.0105e-01 1.Q328 CA = 57.0(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.4075e-01 1.Q328 CB = 27.9(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.7845e-01 1.Q328 H = 7.80(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.7655e-01 1.Q328 N = 118.5(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.9941e-01 1.A329 CA = 53.6(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.1629e-01 1.A329 CB = 17.4(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.7898e-01 1.A329 H = 7.87(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.8232e-01 1.A329 N = 123.0(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.4820e-01 1.L330 CA = 55.4(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.1774e-01 1.L330 CB = 40.2(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.6172e-01 1.L330 H = 7.62(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.4801e-01 1.L330 N = 116.8(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.9448e-01 1.E331 CA = 55.4(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.5827e-01 1.E331 CB = 29.1(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.9676e-01 1.E331 H = 7.47(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.4494e-01 1.E331 N = 117.8(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.0954e-01 1.L332 CA = 52.5(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.4298e-01 1.L332 CB = 41.0(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.8592e-01 1.L332 H = 7.56(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.0265e-01 1.L332 N = 123.9(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.0092e-01 1.R334 CA = 59.3(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.7341e-01 1.R334 CB = 29.1(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.8195e-01 1.R334 H = 8.60(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.5508e-01 1.R334 N = 123.1(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.3197e-01 1.E335 CA = 59.0(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.2150e-01 1.E335 CB = 27.4(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.2915e-01 1.E335 H = 9.41(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.7174e-02 1.E335 N = 117.9(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.2605e-01 1.L336 CA = 55.9(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.9542e-01 1.L336 CB = 40.1(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.3978e-01 1.L336 H = 7.35(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.7579e-01 1.L336 N = 119.3(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.1156e-01 1.F337 CA = 57.2(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.3204e-01 1.F337 CB = 41.8(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.8647e-01 1.F337 H = 7.52(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.4334e-01 1.F337 N = 114.4(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.4779e-01 1.E338 CA = 60.7(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.0583e-01 1.E338 CB = 29.0(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.5706e-01 1.E338 H = 7.26(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.9746e-02 1.E338 N = 120.0(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.4733e-01 1.E339 CA = 59.4(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.1963e-01 1.E339 CB = 28.0(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.4256e-01 1.E339 H = 8.56(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.9666e-01 1.E339 N = 120.3(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.1533e-01 1.Q340 CA = 58.0(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.0399e-01 1.Q340 CB = 27.5(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.5311e-01 1.Q340 H = 8.48(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.5945e-01 1.Q340 N = 121.1(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.3679e-01 1.A341 CA = 54.8(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.0182e-01 1.A341 CB = 19.3(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.7409e-01 1.A341 H = 8.59(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.1569e-01 1.A341 N = 122.4(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.1463e-01 1.K342 CA = 59.9(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.7995e-01 1.K342 CB = 31.1(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.4240e-01 1.K342 H = 8.20(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.8670e-01 1.K342 N = 117.8(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.8865e-01 1.R343 CA = 58.2(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.3589e-01 1.R343 CB = 28.3(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.8970e-01 1.R343 H = 7.58(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.7927e-01 1.R343 N = 118.0(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.4674e-01 1.R344 CA = 59.0(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.3436e-01 1.R344 CB = 29.8(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.2286e-01 1.R344 H = 7.81(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.8086e-01 1.R344 N = 117.8(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.1495e-01 1.V345 CA = 65.6(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.7685e-01 1.V345 H = 8.07(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.4264e-01 1.V345 N = 120.1(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.1881e-01 1.V346 CA = 67.0(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.1481e-01 1.V346 CB = 30.7(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.5676e-01 1.V346 H = 8.48(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.7673e-01 1.V346 N = 121.1(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.9297e-01 1.V347 CA = 67.4(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.6019e-02 1.V347 CB = 30.6(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.3407e-01 1.V347 H = 8.29(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.0000e+00 1.V347 N = 119.3(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.8527e-01 1.G348 CA = 46.9(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.4739e-01 1.G348 H = 7.77(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.8894e-01 1.G348 N = 105.3(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.5881e-01 1.L349 CA = 57.1(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.8716e-01 1.L349 CB = 40.7(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.9179e-01 1.L349 H = 8.26(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.6319e-01 1.L349 N = 123.5(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.7411e-01 1.L350 CA = 57.6(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.5259e-01 1.L350 H = 8.56(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.1167e-01 1.L350 N = 120.3(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.8916e-01 1.L351 CA = 57.3(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.3027e-01 1.L351 H = 9.02(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.2422e-01 1.L351 N = 118.4(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.7498e-01 1.G352 CA = 46.7(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.1371e-01 1.G352 H = 8.02(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.3342e-01 1.G352 N = 107.1(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.0664e-01 1.E353 CA = 57.3(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.9236e-01 1.E353 CB = 28.0(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.4256e-01 1.E353 H = 7.62(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.2883e-01 1.E353 N = 124.2(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.1041e-01 1.V354 CA = 66.6(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.5070e-01 1.V354 CB = 31.7(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.6501e-01 1.V354 H = 7.97(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.3293e-01 1.V354 N = 125.2(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.7118e-01 1.I355 CA = 65.1(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.9283e-01 1.I355 H = 8.30(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.7654e-01 1.I355 N = 121.5(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.9254e-01 1.R356 CA = 58.8(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.7952e-01 1.R356 CB = 30.1(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.4301e-01 1.R356 H = 8.00(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.9399e-01 1.R356 N = 119.5(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.2389e-01 1.T357 CA = 64.7(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.3830e-01 1.T357 H = 8.57(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.9455e-01 1.T357 N = 112.6(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.5272e-01 1.N358 CA = 53.4(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.4064e-01 1.N358 CB = 38.5(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.1049e-01 1.N358 H = 7.30(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.8781e-02 1.N358 N = 116.7(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.8002e-01 1.E359 CA = 56.2(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.9204e-01 1.E359 CB = 26.0(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.9733e-02 1.E359 H = 7.60(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.1598e-01 1.E359 N = 119.0(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.3131e-01 1.L360 CA = 54.7(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.6580e-01 1.L360 CB = 41.2(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.5491e-01 1.L360 H = 7.87(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.7968e-01 1.L360 N = 116.4(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.6151e-01 1.K361 CA = 53.7(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.3960e-01 1.K361 CB = 34.0(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.9665e-01 1.K361 H = 8.18(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.8670e-01 1.K361 N = 121.0(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.8942e-01 1.A362 CA = 52.1(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.9941e-01 1.A362 CB = 17.3(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.5008e-01 1.A362 H = 8.80(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.1731e-01 1.A362 N = 126.8(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.1323e-01 1.D363 CA = 52.6(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.0322e-01 1.D363 CB = 40.3(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.2032e-01 1.D363 H = 8.81(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.8865e-01 1.D363 N = 125.2(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.3850e-01 1.E364 CA = 58.5(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.7235e-01 1.E364 CB = 28.3(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.2013e-01 1.E364 H = 8.89(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.4254e-01 1.E364 N = 127.9(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.7748e-02 1.R366 CA = 57.3(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.1853e-01 1.R366 CB = 31.1(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.2698e-01 1.R366 H = 7.42(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.7886e-01 1.R366 N = 118.1(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.6313e-01 1.V367 CA = 66.6(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.5070e-01 1.V367 H = 7.88(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.4058e-01 1.V367 N = 120.6(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.0532e-01 1.K368 CA = 59.3(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.8544e-01 1.K368 CB = 31.0(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.1460e-01 1.K368 H = 7.64(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.5932e-01 1.K368 N = 118.8(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.5063e-01 1.G369 CA = 46.4(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.3329e-01 1.G369 H = 7.76(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.8053e-01 1.G369 N = 106.9(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.7414e-01 1.L370 CA = 54.8(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.0025e-01 1.L370 H = 8.12(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.6562e-01 1.L370 N = 124.6(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.8233e-01 1.I371 CA = 61.6(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.9702e-01 1.I371 CB = 40.8(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.8271e-01 1.I371 H = 7.96(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.3793e-01 1.I371 N = 121.8(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.3668e-01 1.E372 CA = 61.9(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.8424e-02 1.E372 H = 7.96(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.3058e-01 1.E372 N = 120.9(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.4730e-01 1.E373 CA = 56.2(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.9204e-01 1.E373 CB = 29.2(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.3769e-01 1.E373 H = 8.31(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7296e-01 1.E373 N = 124.9(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.2417e-01 1.M374 CA = 55.1(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.5061e-01 1.M374 CB = 28.8(D), Expected = 32.99, Std = 2.2400, ChiSquare = 6.1410e-02 1.M374 H = 8.23(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.6012e-01 1.M374 N = 122.0(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.9264e-01 1.A375 CA = 52.6(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.8506e-01 1.A375 H = 7.81(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.1569e-01 1.A375 N = 122.0(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.2825e-01 1.S376 CA = 60.0(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.3634e-01 1.S376 H = 7.77(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.8736e-01 1.S376 N = 113.2(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.8157e-01 1.A377 CA = 52.1(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.9941e-01 1.A377 CB = 18.0(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.8101e-01 1.A377 H = 7.30(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.3361e-01 1.A377 N = 122.8(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.0332e-01 1.Y378 CA = 57.2(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.1100e-01 1.Y378 CB = 38.6(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.3888e-01 1.Y378 H = 7.70(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.9571e-01 1.Y378 N = 118.5(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.3055e-01 1.D380 CA = 50.1(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.3754e-02 1.D380 CB = 40.3(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.2032e-01 1.D380 H = 8.03(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.2927e-01 1.D380 N = 117.4(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.9981e-01 1.K382 CA = 59.0(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.5143e-01 1.K382 CB = 30.7(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.4033e-01 1.K382 H = 7.80(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.1569e-01 1.K382 N = 115.9(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.7192e-01 1.E383 CA = 58.2(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.7372e-01 1.E383 CB = 28.5(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.7999e-01 1.E383 H = 7.41(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.1892e-01 1.E383 N = 119.5(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.3671e-01 1.V384 CA = 65.3(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.2585e-01 1.V384 H = 7.14(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.6086e-02 1.V384 N = 121.1(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.9297e-01 1.I385 CA = 65.3(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.6855e-01 1.I385 H = 8.04(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.2413e-01 1.I385 N = 120.6(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.4075e-01 1.E386 CA = 58.7(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.0907e-01 1.E386 H = 7.81(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.7813e-01 1.E386 N = 121.2(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.7895e-01 1.F387 CA = 60.5(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.4638e-01 1.F387 H = 7.89(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.1390e-01 1.F387 N = 121.5(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.0166e-01 1.Y388 CA = 61.6(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.6683e-01 1.Y388 CB = 43.8(D), Expected = 39.32, Std = 2.1600, ChiSquare = 3.8072e-02 1.Y388 H = 8.40(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.1274e-01 1.Y388 N = 119.5(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.0812e-01 1.S389 CA = 60.8(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.1498e-01 1.S389 CB = 62.6(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.1747e-01 1.S389 H = 7.81(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.2568e-01 1.S389 N = 110.9(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.2641e-01 1.K390 CA = 55.5(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.0984e-01 1.K390 CB = 31.8(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.7809e-01 1.K390 H = 7.11(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.1861e-02 1.K390 N = 118.6(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.1578e-01 1.N391 CA = 51.7(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.2772e-01 1.N391 CB = 39.0(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.5446e-01 1.N391 H = 7.37(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.2364e-01 1.N391 N = 121.6(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.0763e-01 1.K392 CA = 59.2(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.0644e-01 1.K392 CB = 28.6(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.8576e-02 1.K392 H = 8.39(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.3888e-01 1.K392 N = 127.2(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.0283e-01 1.E393 CA = 59.2(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.6838e-01 1.E393 CB = 28.0(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.4256e-01 1.E393 H = 8.19(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.1243e-01 1.E393 N = 118.5(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.3291e-01 1.L394 CA = 56.8(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.7959e-01 1.L394 CB = 39.4(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.2165e-01 1.L394 H = 7.65(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.7223e-01 1.L394 N = 121.4(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.0611e-01 1.M395 CA = 59.1(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.7998e-01 1.M395 CB = 27.8(D), Expected = 32.99, Std = 2.2400, ChiSquare = 2.0506e-02 1.M395 H = 7.97(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.2886e-01 1.M395 N = 119.7(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.1301e-01 1.D396 CA = 57.4(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.8188e-01 1.D396 CB = 38.9(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.2162e-01 1.D396 H = 8.72(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.7963e-01 1.D396 N = 121.1(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.0719e-01 1.N397 CA = 57.2(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.1558e-02 1.N397 CB = 37.8(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.9845e-01 1.N397 H = 7.97(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.5700e-01 1.N397 N = 119.4(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.0716e-01 1.M398 CA = 59.7(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.0743e-01 1.M398 CB = 31.0(D), Expected = 32.99, Std = 2.2400, ChiSquare = 3.7433e-01 1.M398 H = 7.89(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.3745e-01 1.M398 N = 119.0(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.6012e-01 1.R399 CA = 56.3(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.3877e-01 1.R399 CB = 28.8(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.9915e-01 1.R399 H = 8.57(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.8852e-01 1.R399 N = 121.4(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.7048e-01 1.N400 CA = 55.9(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.0936e-01 1.N400 CB = 37.3(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.1080e-01 1.N400 H = 7.57(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.2162e-01 1.N400 N = 118.0(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.1749e-01 1.V401 CA = 66.1(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.0686e-01 1.V401 CB = 29.9(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.1388e-01 1.V401 H = 7.83(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.9236e-01 1.V401 N = 123.5(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.0319e-01 1.A402 CA = 51.7(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.6706e-01 1.A402 CB = 18.0(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.8101e-01 1.A402 H = 8.10(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.6763e-01 1.A402 N = 122.8(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.0332e-01 1.L403 CA = 54.5(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.9901e-01 1.L403 CB = 41.1(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.1982e-01 1.L403 H = 8.07(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.0556e-01 1.L403 N = 123.1(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.5052e-01 1.E404 CA = 59.1(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.9439e-01 1.E404 CB = 31.4(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.1901e-01 1.E404 H = 7.91(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.7655e-01 1.E404 N = 123.1(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.8500e-01 1.E405 CA = 59.1(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.9439e-01 1.E405 CB = 28.4(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.4925e-01 1.E405 H = 7.67(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.6329e-01 1.E405 N = 119.0(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.3131e-01 1.Q406 CA = 58.5(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.6713e-01 1.Q406 CB = 29.4(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.0814e-01 1.Q406 H = 8.47(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.7176e-01 1.Q406 N = 119.7(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.5791e-01 1.A407 CA = 54.3(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.5797e-01 1.A407 CB = 17.5(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.0929e-01 1.A407 H = 8.71(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.9533e-01 1.A407 N = 126.0(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.3393e-01 1.V408 CA = 66.8(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.3181e-01 1.V408 CB = 29.0(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.7178e-02 1.V408 H = 8.01(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.7601e-01 1.V408 N = 119.0(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.3738e-01 1.E409 CA = 59.2(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.6838e-01 1.E409 CB = 27.7(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.7926e-01 1.E409 H = 7.97(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.4175e-01 1.E409 N = 119.4(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.1515e-01 1.A410 CA = 54.2(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.9241e-01 1.A410 CB = 16.2(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.2466e-01 1.A410 H = 7.75(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.5325e-01 1.A410 N = 123.4(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.6170e-01 1.V411 CA = 65.6(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.7685e-01 1.V411 CB = 30.4(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.9303e-01 1.V411 H = 7.62(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.1731e-01 1.V411 N = 120.4(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.7052e-01 1.L412 CA = 56.9(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.4788e-01 1.L412 CB = 40.4(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.0965e-01 1.L412 H = 8.28(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.3868e-01 1.L412 N = 120.2(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.7037e-01 1.A413 CA = 53.6(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.1629e-01 1.A413 CB = 17.4(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.7898e-01 1.A413 H = 7.49(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.3668e-01 1.A413 N = 118.5(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.8150e-01 1.K414 CA = 54.7(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.0644e-01 1.K414 H = 7.04(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.5280e-02 1.K414 N = 115.5(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.4098e-01 1.A415 CA = 51.1(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.0287e-01 1.A415 CB = 18.7(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.6548e-01 1.A415 H = 7.01(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.7330e-02 1.A415 N = 121.7(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.6559e-01 1.K416 CA = 55.0(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.7542e-01 1.K416 CB = 30.8(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.6358e-01 1.K416 H = 8.57(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.2652e-01 1.K416 N = 121.4(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.2603e-01 1.V417 CA = 60.8(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.5458e-01 1.V417 CB = 31.9(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.4287e-01 1.V417 H = 8.26(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.6429e-01 1.V417 N = 129.4(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.8853e-02 1.T418 CA = 60.0(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.9137e-01 1.T418 CB = 70.2(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.7308e-01 1.T418 H = 8.82(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.4954e-01 1.T418 N = 124.2(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.4542e-02 1.E419 CA = 55.1(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.8814e-01 1.E419 CB = 30.0(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.9536e-01 1.E419 H = 8.63(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.1112e-01 1.E419 N = 124.6(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.5877e-01 1.K420 CA = 54.2(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.1130e-01 1.K420 CB = 34.7(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.8326e-01 1.K420 H = 8.15(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.4685e-01 1.K420 N = 124.6(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.4637e-01 1.E421 CA = 56.9(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.4073e-01 1.E421 CB = 28.6(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.1235e-01 1.E421 H = 9.02(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.4221e-01 1.E421 N = 130.8(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.6037e-03 1.T422 CA = 59.2(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.4360e-01 1.T422 CB = 69.5(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.8779e-01 1.T422 H = 8.30(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.2291e-01 1.T422 N = 120.7(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.6632e-01 1.T423 CA = 59.6(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.1174e-01 1.T423 CB = 71.4(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.0558e-01 1.T423 H = 8.38(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.2135e-01 1.T423 N = 112.8(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.8124e-01 1.F424 CA = 62.2(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.0891e-01 1.F424 CB = 38.8(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.6910e-01 1.F424 H = 9.70(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.2729e-02 1.F424 N = 124.8(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.9803e-01 1.N425 CA = 56.1(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.7329e-01 1.N425 CB = 37.6(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.1895e-01 1.N425 H = 9.25(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.4861e-01 1.N425 N = 116.1(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.8253e-01 1.E426 CA = 58.7(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.0907e-01 1.E426 CB = 28.7(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.4628e-01 1.E426 H = 7.55(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.8616e-01 1.E426 N = 119.0(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.3131e-01 1.L427 CA = 56.4(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.1422e-01 1.L427 CB = 40.8(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.2186e-01 1.L427 H = 7.90(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.1167e-01 1.L427 N = 121.1(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.4549e-01 1.M428 CA = 54.6(D), Expected = 56.11, Std = 2.2300, ChiSquare = 4.9832e-01 1.M428 CB = 29.3(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.9492e-02 1.M428 H = 7.87(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.1569e-01 1.M428 N = 114.6(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.2409e-01 1.N429 CA = 53.3(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.9842e-01 1.N429 CB = 38.1(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.2700e-01 1.N429 H = 7.46(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.6247e-01 1.N429 N = 117.6(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.4138e-01 1.Q430 CA = 55.5(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.1707e-01 1.Q430 CB = 27.9(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.7845e-01 1.Q430 H = 7.67(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.5123e-01 1.Q430 N = 119.8(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.8006e-01 1.Q431 CA = 55.1(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.9214e-01 1.Q431 CB = 28.5(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.0460e-01 1.Q431 H = 8.20(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.7296e-01 1.Q431 N = 122.4(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.8566e-01 1.A432 CA = 53.2(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.7583e-01 1.A432 CB = 19.0(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.9564e-01 1.A432 H = 7.78(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.8393e-01 1.A432 N = 131.6(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.8059e-02