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.D2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V26 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A27 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.25 E 0.24 Q 0.21 K 0.13 M 0.11 I 0.01 V 0.01 HN Overlap>> 1.Q79 1.Q79 C Shift Assignments>> C :: 175.9918823 CA :: 56.86848831 CB :: 30.19292259 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 :: 8.393885068 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 :: 120.521875 Ave N Shift Values>> N :: 120.67(3.48) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.33 N 0.26 D 0.13 L 0.06 M 0.05 H 0.04 Q 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.V49 1.V49 C Shift Assignments>> CA :: 52.7039566 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.291130475 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.259625 Ave N Shift Values>> N :: 123.23(3.54) 1.A30 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.1 F 0.01 C Shift Assignments>> C :: 174.186203 CA :: 45.24403381 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.310737944 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.7353242 Ave N Shift Values>> N :: 109.67(3.87) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.13 H 0.13 Q 0.12 L 0.11 K 0.1 E 0.08 F 0.06 Y 0.06 D 0.06 S 0.03 N 0.02 A 0.01 C Shift Assignments>> CA :: 56.2429657 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 :: 8.109010696 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 :: 120.6119383 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E35 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G36 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 D 0.23 K 0.22 F 0.09 Y 0.06 N 0.02 C Shift Assignments>> C :: 177.6616669 CA :: 55.11481953 CB :: 42.25962448 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 :: 8.269491604 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 :: 125.7866516 Ave N Shift Values>> N :: 121.86(3.9) 1.Y39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.16 Y 0.15 F 0.15 E 0.1 K 0.08 H 0.07 Q 0.06 M 0.05 I 0.04 L 0.03 V 0.02 T 0.02 D 0.01 C Shift Assignments>> CA :: 58.47971725 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 :: 8.319366455 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 :: 116.7615455 Ave N Shift Values>> N :: 120.52(4.2) 1.V40 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.12 F 0.01 C Shift Assignments>> C :: 173.8589478 CA :: 45.14632988 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.027358873 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.2026322 Ave N Shift Values>> N :: 109.67(3.87) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.15 F 0.15 S 0.15 E 0.1 K 0.08 H 0.07 Q 0.06 M 0.05 I 0.04 L 0.03 V 0.02 T 0.02 D 0.01 C Shift Assignments>> CA :: 58.39517593 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.252845923 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 :: 115.6676718 Ave N Shift Values>> N :: 116.28(3.52) 1.K43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.737854 CA :: 61.9823246 CB :: 70.10780334 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 :: 8.119872638 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 :: 115.3689325 Ave N Shift Values>> N :: 115.42(4.75) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.28 K 0.27 Q 0.25 H 0.1 E 0.04 V 0.02 HN Overlap>> 1.E46 1.E46 C Shift Assignments>> C :: 176.4641571 CA :: 56.35117626 CB :: 33.1919632 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 :: 8.465738297 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 :: 123.8499494 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.26 E 0.24 Q 0.22 K 0.12 M 0.12 I 0.01 V 0.01 HN Overlap>> 1.K45 1.K45 C Shift Assignments>> C :: 176.742218 CA :: 56.50453652 CB :: 30.22777081 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 :: 8.477153506 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 :: 123.8180193 Ave N Shift Values>> N :: 120.67(3.48) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.1 F 0.01 C Shift Assignments>> C :: 174.3284454 CA :: 45.24487032 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.486637497 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.2999 Ave N Shift Values>> N :: 109.67(3.87) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 P 0.31 K 0.02 I 0.01 Q 0.01 M 0.01 HN Overlap>> 1.V52 1.V52 C Shift Assignments>> C :: 176.6100769 CA :: 62.44358349 CB :: 33.04255676 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 :: 7.991903385 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 :: 119.6879167 Ave N Shift Values>> N :: 121.14(4.54) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 P 0.34 K 0.02 H 0.01 M 0.01 Q 0.01 E 0.01 HN Overlap>> 1.A29 1.A29 C Shift Assignments>> C :: 176.1046677 CA :: 62.28898021 CB :: 32.68936157 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 :: 8.276374544 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 :: 125.214554 Ave N Shift Values>> N :: 121.14(4.54) 1.H50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.25 E 0.24 Q 0.21 K 0.12 M 0.11 I 0.01 V 0.01 C Shift Assignments>> C :: 175.0606461(D) CA :: 56.66555099(D) CB :: 30.24257469(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.564982959(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 :: 125.3601572(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.11 F 0.01 C Shift Assignments>> C :: 173.8014156(D) CA :: 45.23155594(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.471259308(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.6851515(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.59 P 0.3 K 0.03 M 0.01 Q 0.01 H 0.01 I 0.01 HN Overlap>> 1.V48 1.V48 C Shift Assignments>> C :: 175.9026718(D) CA :: 62.21689758(D) CB :: 32.91016388(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 :: 7.917506748(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 :: 119.6378951(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.88 M 0.1 HN Overlap>> 1.A78 1.A78 C Shift Assignments>> C :: 177.7991943(D) CA :: 52.36466942(D) CB :: 19.08607674(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.420923657(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.2911782(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.1059723(D) CA :: 61.8799633(D) CB :: 70.14709473(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 :: 8.223542054(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 :: 114.9599145(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.45 V 0.22 P 0.13 E 0.06 H 0.04 K 0.04 Q 0.02 HN Overlap>> 1.A90 1.A90 C Shift Assignments>> C :: 177.5076752(D) CA :: 62.18483353(D) CB :: 29.70769119(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 :: 8.256208122(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 :: 123.3275856(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E57 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T59 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K60 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E61 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T64 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.58 D 0.19 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> C :: 174.791214(D) CA :: 52.96395683(D) CB :: 38.86927223(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 :: 8.385531494(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 :: 123.7507255(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.57 P 0.35 K 0.02 HN Overlap>> 1.V118 1.V118 C Shift Assignments>> C :: 176.8343735(D) CA :: 62.52950935(D) CB :: 32.82143974(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 :: 8.228139506(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 :: 121.0635288(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.1 F 0.01 C Shift Assignments>> C :: 174.612175(D) CA :: 45.24407482(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.546823433(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.6406189(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 L 0.15 F 0.01 D 0.01 C Shift Assignments>> C :: 173.6817017(D) CA :: 44.99847755(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.22749642(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.7583878(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 M 0.09 C Shift Assignments>> C :: 177.6253357(D) CA :: 52.2571764(D) CB :: 19.19177246(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.15745004(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.7163911(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.56 P 0.35 K 0.02 H 0.01 M 0.01 C Shift Assignments>> C :: 176.3222504(D) CA :: 62.41992455(D) CB :: 32.73682117(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 :: 8.210305479(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 :: 120.5376561(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.58 P 0.31 K 0.03 M 0.01 H 0.01 Q 0.01 E 0.01 C Shift Assignments>> C :: 176.3299789(D) CA :: 62.19134225(D) CB :: 32.80665588(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 :: 8.373569191(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 :: 125.4852905(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.8708344(D) CA :: 61.81737232(D) CB :: 70.02315521(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 :: 8.301542078(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 :: 118.7375834(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.14 F 0.01 D 0.01 C Shift Assignments>> C :: 173.6885071(D) CA :: 45.03672266(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.424613408(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.3872713(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.26 V 0.24 I 0.21 P 0.12 S 0.07 F 0.02 Y 0.02 C Shift Assignments>> C :: 173.6885071(D) CA :: 62.22775269(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 :: 7.841987133(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 :: 119.3328328(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.91 M 0.07 C Shift Assignments>> C :: 177.5144196(D) CA :: 52.32030296(D) CB :: 19.42179012(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.358704499(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.4846807(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.59 P 0.28 K 0.04 M 0.01 Q 0.01 H 0.01 E 0.01 I 0.01 C Shift Assignments>> C :: 175.8782959(D) CA :: 61.99024725(D) CB :: 32.88737869(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 :: 8.141764028(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 :: 120.1764073(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.09 HN Overlap>> 1.A53 1.A53 C Shift Assignments>> C :: 177.64077(D) CA :: 52.49804211(D) CB :: 19.25655619(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.493088616(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.3425157(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.24 Q 0.23 E 0.21 K 0.17 M 0.09 I 0.01 HN Overlap>> 1.E28 1.E28 C Shift Assignments>> C :: 177.6276398(D) CA :: 56.11334038(D) CB :: 29.83540535(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 :: 8.37489748(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 :: 120.5409199(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K80 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.25 V 0.24 I 0.23 P 0.11 S 0.06 F 0.03 Y 0.03 C Shift Assignments>> C :: 176.7113495(D) CA :: 62.06259918(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 :: 8.277331352(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.9293265(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V82 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E83 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A85 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.11 F 0.01 C Shift Assignments>> C :: 174.2425308(D) CA :: 45.21491591(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.486807299(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.1547678(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.6569748(D) CA :: 58.37898178(D) CB :: 63.99461937(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.146101687(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 :: 115.7245511(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.53 Y 0.23 F 0.21 HN Overlap>> 1.Q134 1.Q134 C Shift Assignments>> C :: 176.2606049(D) CA :: 61.31261396(D) CB :: 38.82555389(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 :: 8.178826605(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 :: 122.7756468(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.88 M 0.1 C Shift Assignments>> C :: 177.5831528(D) CA :: 52.53132915(D) CB :: 19.14987183(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.332431112(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.1621399(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.88 M 0.1 HN Overlap>> 1.V55 1.A91 1.V55 1.A91 C Shift Assignments>> C :: 177.726387(D) CA :: 52.53281441(D) CB :: 19.20715904(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.210830424(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.4118258(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.09 HN Overlap>> 1.A90 1.A90 C Shift Assignments>> C :: 178.0913315(D) CA :: 52.59648438(D) CB :: 19.30100965(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.271161397(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.4498472(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.1063232(D) CA :: 61.9682951(D) CB :: 69.81910706(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 :: 8.078448227(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 :: 112.653165(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.12 F 0.01 C Shift Assignments>> C :: 173.5832748(D) CA :: 45.14146614(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.290173803(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.6729339(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.34 Y 0.33 I 0.1 D 0.08 L 0.08 N 0.02 K 0.01 HN Overlap>> 1.Y133 1.I112 1.Y133 1.I112 C Shift Assignments>> C :: 175.4535751(D) CA :: 57.76350307(D) CB :: 39.73107529(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.08132863(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 :: 120.3209736(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.6 P 0.25 K 0.05 Q 0.02 M 0.02 H 0.01 E 0.01 I 0.01 C Shift Assignments>> C :: 175.3590012(D) CA :: 61.87106943(D) CB :: 32.95693588(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 :: 8.045936312(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 :: 123.7606267(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.13 M 0.13 Q 0.13 K 0.11 L 0.1 E 0.09 F 0.07 Y 0.06 D 0.06 S 0.03 N 0.02 A 0.01 C Shift Assignments>> C :: 175.345871(D) CA :: 56.3194809(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 :: 8.381509577(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 :: 126.5785525(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K97 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D98 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.26 Q 0.23 E 0.21 K 0.15 M 0.11 I 0.01 C Shift Assignments>> C :: 176.1633606(D) CA :: 55.92257309(D) CB :: 30.0201416(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 :: 8.341630676(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 :: 120.1648358(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L100 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.1 F 0.01 C Shift Assignments>> C :: 174.0895307(D) CA :: 45.26562746(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.478437434(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.8881211(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.29 K 0.27 Q 0.24 H 0.11 E 0.05 V 0.02 C Shift Assignments>> C :: 176.4537342(D) CA :: 56.19014454(D) CB :: 33.09223805(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 :: 8.1943016(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 :: 120.8095706(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.56 D 0.19 Y 0.08 F 0.08 L 0.05 C Shift Assignments>> C :: 175.2268829(D) CA :: 53.22341919(D) CB :: 38.83514722(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 :: 8.600350454(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.058768(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.26 E 0.23 Q 0.22 K 0.12 M 0.12 I 0.01 V 0.01 HN Overlap>> 1.E139 1.E139 C Shift Assignments>> C :: 176.508728(D) CA :: 56.45909347(D) CB :: 30.21576806(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 :: 8.469161104(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 :: 121.6464907(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.25 E 0.22 Q 0.17 M 0.16 K 0.14 V 0.02 HN Overlap>> 1.E131 1.E131 C Shift Assignments>> C :: 176.5395851(D) CA :: 56.81563084(D) CB :: 30.87257195(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 :: 8.458272587(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 :: 122.1556715(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.91 M 0.08 C Shift Assignments>> C :: 173.3672843(D) CA :: 50.45213547(D) CB :: 18.09936714(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.144970696(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.0560095(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.26 Q 0.23 E 0.21 K 0.15 M 0.11 I 0.01 C Shift Assignments>> C :: 175.9688052(D) CA :: 55.76773063(D) CB :: 29.99609312(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 :: 8.586911134(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 :: 121.2917232(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.25 E 0.24 Q 0.21 K 0.12 M 0.11 I 0.01 V 0.01 C Shift Assignments>> C :: 175.9956491(D) CA :: 56.6787384(D) CB :: 30.25047493(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 :: 8.516944945(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 :: 122.741447(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G111 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.49 Y 0.25 F 0.22 E 0.01 HN Overlap>> 1.Y133 1.Y133 1.F94 1.F94 C Shift Assignments>> C :: 176.2645183(D) CA :: 60.9661734(D) CB :: 38.68603965(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 :: 8.010324748(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 :: 120.32589(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 D 0.24 K 0.21 F 0.09 Y 0.06 N 0.02 C Shift Assignments>> C :: 177.1087359(D) CA :: 54.91196935(D) CB :: 42.27552442(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 :: 8.404820976(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 :: 127.2524063(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.27 E 0.23 Q 0.21 M 0.14 K 0.11 V 0.01 I 0.01 C Shift Assignments>> C :: 175.8516134(D) CA :: 56.4078629(D) CB :: 30.44128121(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 :: 8.412716684(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 :: 122.4526507(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.23 N 0.12 F 0.1 K 0.1 Y 0.07 C Shift Assignments>> C :: 175.7654826(D) CA :: 54.26070475(D) CB :: 41.06500353(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 :: 8.355901306(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 :: 121.6171953(D) Ave N Shift Values>> N :: 120.65(3.86) 1.M116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.31 Q 0.24 K 0.15 M 0.13 E 0.12 L 0.01 C Shift Assignments>> C :: 175.774619(D) CA :: 53.26416931(D) CB :: 29.79915047(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 :: 8.250024993(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 :: 122.0229185(D) Ave N Shift Values>> N :: 120.09(3.57) 1.P117 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.6 P 0.25 K 0.05 M 0.02 Q 0.02 H 0.01 E 0.01 I 0.01 HN Overlap>> 1.V66 1.V66 C Shift Assignments>> C :: 175.757602(D) CA :: 61.84511698(D) CB :: 32.93564675(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 :: 8.292050668(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 :: 120.9976578(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.41 N 0.23 L 0.2 K 0.05 F 0.05 Y 0.03 C Shift Assignments>> C :: 175.757602(D) CA :: 52.18685226(D) CB :: 41.17004776(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 :: 8.515114603(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 :: 126.163094(D) Ave N Shift Values>> N :: 120.65(3.86) 1.P120 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.21 N 0.14 F 0.12 Y 0.09 K 0.07 C Shift Assignments>> C :: 176.1245968(D) CA :: 54.50354701(D) CB :: 40.7584844(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 :: 8.375261938(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 :: 119.4230869(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N122 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>> C :: 175.3567708(D) CA :: 53.4395349(D) CB :: 39.27975191(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 :: 8.11966957(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 :: 119.1687732(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.25 E 0.24 Q 0.22 K 0.13 M 0.11 I 0.01 V 0.01 C Shift Assignments>> C :: 176.0361008(D) CA :: 56.79152353(D) CB :: 30.1758717(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 :: 8.363166908(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 :: 121.7371105(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 177.1622976(D) CA :: 52.28399091(D) CB :: 19.13621721(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.21482578(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.5267558(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.36 F 0.33 I 0.12 D 0.06 L 0.04 N 0.03 E 0.02 C Shift Assignments>> C :: 175.2854309(D) CA :: 57.69034607(D) CB :: 38.95906914(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 :: 8.022260248(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.1292793(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.27 E 0.2 Q 0.19 M 0.18 K 0.13 C Shift Assignments>> C :: 175.3641307(D) CA :: 55.61182283(D) CB :: 30.73618297(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 :: 8.132757206(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 :: 123.9387183(D) Ave N Shift Values>> N :: 120.67(3.48) 1.M127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.38 K 0.21 H 0.2 Q 0.12 E 0.05 P 0.01 C Shift Assignments>> C :: 175.3547163(D) CA :: 53.16853405(D) CB :: 32.33535385(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 :: 8.412185047(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 :: 123.9856126(D) Ave N Shift Values>> N :: 120.09(3.57) 1.P128 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.7621663(D) CA :: 58.25783553(D) CB :: 63.99372101(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.482420231(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 :: 116.8987071(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.26 E 0.23 Q 0.22 K 0.13 M 0.11 I 0.01 V 0.01 C Shift Assignments>> C :: 176.4984283(D) CA :: 56.4705217(D) CB :: 30.1891525(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 :: 8.565925895(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 :: 123.23783(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.26 E 0.25 Q 0.21 M 0.12 K 0.11 I 0.01 V 0.01 HN Overlap>> 1.E105 1.E105 C Shift Assignments>> C :: 176.9681424(D) CA :: 56.87435901(D) CB :: 30.34083521(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 :: 8.469465002(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 :: 122.2433711(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.13 F 0.01 C Shift Assignments>> C :: 173.7499363(D) CA :: 45.11979293(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.409311249(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.0858439(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.37 F 0.33 I 0.15 D 0.04 L 0.03 E 0.02 N 0.02 HN Overlap>> 1.I112 1.F94 1.I112 1.F94 C Shift Assignments>> C :: 175.6897395(D) CA :: 58.01527306(D) CB :: 38.86507038(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 :: 8.035692165(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.3166286(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Q134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.26 Q 0.24 E 0.19 K 0.16 M 0.11 HN Overlap>> 1.I88 1.I88 C Shift Assignments>> C :: 174.785264(D) CA :: 55.3352374(D) CB :: 29.88607342(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 :: 8.210009144(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 :: 122.8317043(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.24 K 0.11 N 0.11 F 0.09 Y 0.07 C Shift Assignments>> C :: 175.4773741(D) CA :: 54.13688381(D) CB :: 41.22181(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 :: 8.2243485(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 :: 121.7667978(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.33 I 0.11 D 0.07 L 0.05 N 0.03 E 0.01 C Shift Assignments>> C :: 175.0467506(D) CA :: 57.52998167(D) CB :: 39.06598217(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 :: 8.024391769(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.5216427(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.32 Q 0.23 M 0.18 E 0.14 K 0.1 C Shift Assignments>> C :: 175.0467506(D) CA :: 53.57972158(D) CB :: 30.27058792(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 :: 8.246988802(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 :: 125.4642903(D) Ave N Shift Values>> N :: 120.67(3.48) 1.P138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.25 E 0.23 Q 0.22 K 0.13 M 0.11 I 0.01 V 0.01 HN Overlap>> 1.E104 1.E104 C Shift Assignments>> C :: 175.3742725(D) CA :: 56.51102358(D) CB :: 30.18728964(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 :: 8.507811181(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 :: 121.6227774(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.82 L 0.08 M 0.07 V 0.01 C Shift Assignments>> C :: 175.3742725(D) CA :: 53.79964751(D) CB :: 20.43322372(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.982541609(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.0013613(D) Ave N Shift Values>> N :: 123.23(3.54) ########################################################################### Overall Results: #Consistent: 74 #Clerical: 66 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 80 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 60 Shift Relative Order (SRO) Results: #Consistent: 140 #Suspicious: 0 C Shift Results: #Consistent: 31 #Duplicate: 187 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 14 #Duplicate: 66 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 14 #Duplicate: 66 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.H50 C = 175.0606461(D), Expected = 175.25, Std = 1.9700, ChiSquare = 9.2343e-01 1.H50 CA = 56.66555099(D), Expected = 56.52, Std = 2.3100, ChiSquare = 9.4976e-01 1.H50 CB = 30.24257469(D), Expected = 30.24, Std = 2.0700, ChiSquare = 9.9901e-01 1.H50 H = 8.564982959(D), Expected = 8.24, Std = 0.6800, ChiSquare = 6.3271e-01 1.H50 N = 125.3601572(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.5633e-01 1.G51 C = 173.8014156(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.7090e-01 1.G51 CA = 45.23155594(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.2957e-01 1.G51 H = 8.471259308(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.2796e-01 1.G51 N = 110.6851515(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.9308e-01 1.V52 C = 175.9026718(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.8173e-01 1.V52 CA = 62.21689758(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.2393e-01 1.V52 CB = 32.91016388(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.1983e-01 1.V52 H = 7.917506748(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.7824e-01 1.V52 N = 119.6378951(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.4075e-01 1.A53 C = 177.7991943(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.7783e-01 1.A53 CA = 52.36466942(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.9537e-01 1.A53 CB = 19.08607674(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.6684e-01 1.A53 H = 8.420923657(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.1272e-01 1.A53 N = 128.2911782(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.5280e-01 1.T54 C = 174.1059723(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.0521e-01 1.T54 CA = 61.8799633(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.9555e-01 1.T54 CB = 70.14709473(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.9804e-01 1.T54 H = 8.223542054(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.7882e-01 1.T54 N = 114.9599145(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.2284e-01 1.V55 C = 177.5076752(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.2046e-01 1.V55 CA = 62.18483353(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.1503e-01 1.V55 CB = 29.70769119(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.1327e-02 1.V55 H = 8.256208122(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.5978e-01 1.V55 N = 123.3275856(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.2991e-01 1.N65 C = 174.791214(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.8910e-01 1.N65 CA = 52.96395683(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.5930e-01 1.N65 CB = 38.86927223(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.1552e-01 1.N65 H = 8.385531494(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.4239e-01 1.N65 N = 123.7507255(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.3161e-01 1.V66 C = 176.8343735(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.2273e-01 1.V66 CA = 62.52950935(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.8898e-01 1.V66 CB = 32.82143974(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.5926e-01 1.V66 H = 8.228139506(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.2644e-01 1.V66 N = 121.0635288(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.8656e-01 1.G67 C = 174.612175(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.9301e-01 1.G67 CA = 45.24407482(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.3699e-01 1.G67 H = 8.546823433(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.3870e-01 1.G67 N = 112.6406189(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.4272e-01 1.G68 C = 173.6817017(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.2022e-01 1.G68 CA = 44.99847755(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.9307e-01 1.G68 H = 8.22749642(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.7470e-01 1.G68 N = 108.7583878(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.1378e-01 1.A69 C = 177.6253357(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.5707e-01 1.A69 CA = 52.2571764(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.5569e-01 1.A69 CB = 19.19177246(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.2088e-01 1.A69 H = 8.15745004(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.4346e-01 1.A69 N = 123.7163911(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.9072e-01 1.V70 C = 176.3222504(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.1168e-01 1.V70 CA = 62.41992455(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.8045e-01 1.V70 CB = 32.73682117(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.9696e-01 1.V70 H = 8.210305479(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.0532e-01 1.V70 N = 120.5376561(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.9445e-01 1.V71 C = 176.3299789(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.0865e-01 1.V71 CA = 62.19134225(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.1683e-01 1.V71 CB = 32.80665588(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.6584e-01 1.V71 H = 8.373569191(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.0074e-01 1.V71 N = 125.4852905(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.3851e-01 1.T72 C = 174.8708344(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.5090e-01 1.T72 CA = 61.81737232(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.7646e-01 1.T72 CB = 70.02315521(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.5727e-01 1.T72 H = 8.301542078(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.2093e-01 1.T72 N = 118.7375834(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.8490e-01 1.G73 C = 173.6885071(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.2309e-01 1.G73 CA = 45.03672266(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.1515e-01 1.G73 H = 8.424613408(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.8427e-01 1.G73 N = 111.3872713(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.5723e-01 1.V74 C = 173.6885071(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.0936e-01 1.V74 CA = 62.22775269(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.2694e-01 1.V74 H = 7.841987133(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.0370e-01 1.V74 N = 119.3328328(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.9059e-01 1.A76 C = 177.5144196(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.1566e-01 1.A76 CA = 52.32030296(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.7888e-01 1.A76 CB = 19.42179012(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.2196e-01 1.A76 H = 8.358704499(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.9139e-01 1.A76 N = 127.4846807(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.2941e-01 1.V77 C = 175.8782959(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.9186e-01 1.V77 CA = 61.99024725(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.6129e-01 1.V77 CB = 32.88737869(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.2994e-01 1.V77 H = 8.141764028(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.2490e-01 1.V77 N = 120.1764073(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.3192e-01 1.A78 C = 177.64077(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.6284e-01 1.A78 CA = 52.49804211(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.4577e-01 1.A78 CB = 19.25655619(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.9283e-01 1.A78 H = 8.493088616(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.2521e-01 1.A78 N = 128.3425157(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.4868e-01 1.Q79 C = 177.6276398(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.9922e-01 1.Q79 CA = 56.11334038(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.3102e-01 1.Q79 CB = 29.83540535(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.2288e-01 1.Q79 H = 8.37489748(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.9291e-01 1.Q79 N = 120.5409199(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.5652e-01 1.T81 C = 176.7113495(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.1731e-01 1.T81 CA = 62.06259918(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.5154e-01 1.T81 H = 8.277331352(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.5199e-01 1.T81 N = 116.9293265(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.5067e-01 1.G86 C = 174.2425308(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.4292e-01 1.G86 CA = 45.21491591(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1970e-01 1.G86 H = 8.486807299(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.0937e-01 1.G86 N = 108.1547678(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.9540e-01 1.S87 C = 174.6569748(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.8285e-01 1.S87 CA = 58.37898178(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.6915e-01 1.S87 CB = 63.99461937(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.9538e-01 1.S87 H = 8.146101687(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.2047e-01 1.S87 N = 115.7245511(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.7462e-01 1.I88 C = 176.2606049(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.3066e-01 1.I88 CA = 61.31261396(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.1164e-01 1.I88 CB = 38.82555389(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.2288e-01 1.I88 H = 8.178826605(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.8172e-01 1.I88 N = 122.7756468(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.5854e-01 1.A89 C = 177.5831528(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.4130e-01 1.A89 CA = 52.53132915(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.5853e-01 1.A89 CB = 19.14987183(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.3908e-01 1.A89 H = 8.332431112(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.2531e-01 1.A89 N = 128.1621399(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.6354e-01 1.A90 C = 177.726387(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.9490e-01 1.A90 CA = 52.53281441(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.5910e-01 1.A90 CB = 19.20715904(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.1420e-01 1.A90 H = 8.210830424(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8560e-01 1.A90 N = 123.4118258(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.5904e-01 1.A91 C = 178.0913315(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.6899e-01 1.A91 CA = 52.59648438(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.8370e-01 1.A91 CB = 19.30100965(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.7365e-01 1.A91 H = 8.271161397(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0559e-01 1.A91 N = 123.4498472(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.5048e-01 1.T92 C = 175.1063232(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.4762e-01 1.T92 CA = 61.9682951(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.2258e-01 1.T92 CB = 69.81910706(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.5640e-01 1.T92 H = 8.078448227(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.9443e-01 1.T92 N = 112.653165(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.6024e-01 1.G93 C = 173.5832748(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.7878e-01 1.G93 CA = 45.14146614(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.7633e-01 1.G93 H = 8.290173803(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.5114e-01 1.G93 N = 110.6729339(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.9551e-01 1.F94 C = 175.4535751(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.8654e-01 1.F94 CA = 57.76350307(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.0199e-01 1.F94 CB = 39.73107529(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.0140e-01 1.F94 H = 8.08132863(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.9872e-01 1.F94 N = 120.3209736(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.7538e-01 1.V95 C = 175.3590012(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.9074e-01 1.V95 CA = 61.87106943(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.2867e-01 1.V95 CB = 32.95693588(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.9911e-01 1.V95 H = 8.045936312(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.1565e-01 1.V95 N = 123.7606267(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.6378e-01 1.K96 C = 175.345871(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.1759e-01 1.K96 CA = 56.3194809(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.7442e-01 1.K96 H = 8.381509577(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.4959e-01 1.K96 N = 126.5785525(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.4252e-01 1.Q99 C = 176.1633606(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.4006e-01 1.Q99 CA = 55.92257309(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.6224e-01 1.Q99 CB = 30.0201416(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.4830e-01 1.Q99 H = 8.341630676(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.3667e-01 1.Q99 N = 120.1648358(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.3915e-01 1.G101 C = 174.0895307(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.0704e-01 1.G101 CA = 45.26562746(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.4979e-01 1.G101 H = 8.478437434(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.1936e-01 1.G101 N = 109.8881211(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.5505e-01 1.K102 C = 176.4537342(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.2580e-01 1.K102 CA = 56.19014454(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.2980e-01 1.K102 CB = 33.09223805(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.6517e-01 1.K102 H = 8.1943016(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.9428e-01 1.K102 N = 120.8095706(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.4915e-01 1.N103 C = 175.2268829(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.8078e-01 1.N103 CA = 53.22341919(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.6627e-01 1.N103 CB = 38.83514722(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.3156e-01 1.N103 H = 8.600350454(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.7942e-01 1.N103 N = 120.058768(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.7941e-01 1.E104 C = 176.508728(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.5302e-01 1.E104 CA = 56.45909347(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.8040e-01 1.E104 CB = 30.21576806(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.0477e-01 1.E104 H = 8.469161104(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.1354e-01 1.E104 N = 121.6464907(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.7902e-01 1.E105 C = 176.5395851(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.6545e-01 1.E105 CA = 56.81563084(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.0930e-01 1.E105 CB = 30.87257195(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.1602e-01 1.E105 H = 8.458272587(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.2789e-01 1.E105 N = 122.1556715(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.6944e-01 1.A107 C = 173.3672843(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.0081e-02 1.A107 CA = 50.45213547(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.7462e-01 1.A107 CB = 18.09936714(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.1876e-01 1.A107 H = 8.144970696(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.2692e-01 1.A107 N = 125.0560095(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.0598e-01 1.Q109 C = 175.9688052(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.6110e-01 1.Q109 CA = 55.76773063(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.0774e-01 1.Q109 CB = 29.99609312(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.5783e-01 1.Q109 H = 8.586911134(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.3402e-01 1.Q109 N = 121.2917232(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.9700e-01 1.E110 C = 175.9956491(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.5388e-01 1.E110 CA = 56.6787384(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.5898e-01 1.E110 CB = 30.25047493(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.8881e-01 1.E110 H = 8.516944945(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.5135e-01 1.E110 N = 122.741447(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.5168e-01 1.I112 C = 176.2645183(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.2907e-01 1.I112 CA = 60.9661734(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.1015e-01 1.I112 CB = 38.68603965(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.7787e-01 1.I112 H = 8.010324748(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.9168e-01 1.I112 N = 120.32589(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.9103e-01 1.L113 C = 177.1087359(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.5218e-01 1.L113 CA = 54.91196935(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.3958e-01 1.L113 CB = 42.27552442(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.8537e-01 1.L113 H = 8.404820976(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.8796e-01 1.L113 N = 127.2524063(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.6677e-01 1.E114 C = 175.8516134(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.0150e-01 1.E114 CA = 56.4078629(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.6253e-01 1.E114 CB = 30.44128121(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.0201e-01 1.E114 H = 8.412716684(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.8850e-01 1.E114 N = 122.4526507(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.0847e-01 1.D115 C = 175.7654826(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.1692e-01 1.D115 CA = 54.26070475(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.3252e-01 1.D115 CB = 41.06500353(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.0908e-01 1.D115 H = 8.355901306(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.3692e-01 1.D115 N = 121.6171953(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.0215e-01 1.M116 C = 175.774619(D), Expected = 176.18, Std = 2.0900, ChiSquare = 8.4621e-01 1.M116 CA = 53.26416931(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.0190e-01 1.M116 CB = 29.79915047(D), Expected = 32.99, Std = 2.2400, ChiSquare = 1.5431e-01 1.M116 H = 8.250024993(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.8674e-01 1.M116 N = 122.0229185(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.8821e-01 1.V118 C = 175.757602(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.4227e-01 1.V118 CA = 61.84511698(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.2160e-01 1.V118 CB = 32.93564675(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.0854e-01 1.V118 H = 8.292050668(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.9756e-01 1.V118 N = 120.9976578(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.7499e-01 1.D119 C = 175.757602(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.1356e-01 1.D119 CA = 52.18685226(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.1755e-01 1.D119 CB = 41.17004776(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.5790e-01 1.D119 H = 8.515114603(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.2360e-01 1.D119 N = 126.163094(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.5322e-01 1.D121 C = 176.1245968(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.7495e-01 1.D121 CA = 54.50354701(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.2682e-01 1.D121 CB = 40.7584844(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.4021e-01 1.D121 H = 8.375261938(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.1041e-01 1.D121 N = 119.4230869(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.5060e-01 1.N122 C = 175.3567708(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.6134e-01 1.N122 CA = 53.4395349(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.5738e-01 1.N122 CB = 39.27975191(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.2711e-01 1.N122 H = 8.11966957(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.2654e-01 1.N122 N = 119.1687732(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.5275e-01 1.E123 C = 176.0361008(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.6891e-01 1.E123 CA = 56.79152353(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.0038e-01 1.E123 CB = 30.1758717(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.2317e-01 1.E123 H = 8.363166908(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.5517e-01 1.E123 N = 121.7371105(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.5912e-01 1.A124 C = 177.1622976(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.8622e-01 1.A124 CA = 52.28399091(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.6550e-01 1.A124 CB = 19.13621721(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.4501e-01 1.A124 H = 8.21482578(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8029e-01 1.A124 N = 124.5267558(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.1413e-01 1.Y125 C = 175.2854309(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.5409e-01 1.Y125 CA = 57.69034607(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.6095e-01 1.Y125 CB = 38.95906914(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.6729e-01 1.Y125 H = 8.022260248(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.8337e-01 1.Y125 N = 120.1292793(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.2588e-01 1.E126 C = 175.3641307(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.3997e-01 1.E126 CA = 55.61182283(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.1375e-01 1.E126 CB = 30.73618297(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.7288e-01 1.E126 H = 8.132757206(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.3815e-01 1.E126 N = 123.9387183(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.4758e-01 1.M127 C = 175.3547163(D), Expected = 176.18, Std = 2.0900, ChiSquare = 6.9294e-01 1.M127 CA = 53.16853405(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.8715e-01 1.M127 CB = 32.33535385(D), Expected = 32.99, Std = 2.2400, ChiSquare = 7.7009e-01 1.M127 H = 8.412185047(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.9977e-01 1.M127 N = 123.9856126(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.7518e-01 1.S129 C = 174.7621663(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.3413e-01 1.S129 CA = 58.25783553(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.2333e-01 1.S129 CB = 63.99372101(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.9586e-01 1.S129 H = 8.482420231(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.3153e-01 1.S129 N = 116.8987071(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.6048e-01 1.E130 C = 176.4984283(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.4888e-01 1.E130 CA = 56.4705217(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.8441e-01 1.E130 CB = 30.1891525(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.1704e-01 1.E130 H = 8.565925895(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.8925e-01 1.E130 N = 123.23783(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.6059e-01 1.E131 C = 176.9681424(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.5986e-01 1.E131 CA = 56.87435901(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.3115e-01 1.E131 CB = 30.34083521(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.4747e-01 1.E131 H = 8.469465002(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.1314e-01 1.E131 N = 122.2433711(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.5118e-01 1.G132 C = 173.7499363(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.4908e-01 1.G132 CA = 45.11979293(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.6360e-01 1.G132 H = 8.409311249(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.0289e-01 1.G132 N = 110.0858439(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.1443e-01 1.Y133 C = 175.6897395(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.8424e-01 1.Y133 CA = 58.01527306(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.6354e-01 1.Y133 CB = 38.86507038(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.3319e-01 1.Y133 H = 8.035692165(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.9693e-01 1.Y133 N = 120.3166286(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.6138e-01 1.Q134 C = 174.785264(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.3426e-01 1.Q134 CA = 55.3352374(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.6394e-01 1.Q134 CB = 29.88607342(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.0212e-01 1.Q134 H = 8.210009144(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.8649e-01 1.Q134 N = 122.8317043(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.1385e-01 1.D135 C = 175.4773741(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.9804e-01 1.D135 CA = 54.13688381(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.8526e-01 1.D135 CB = 41.22181(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.3289e-01 1.D135 H = 8.2243485(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.8260e-01 1.D135 N = 121.7667978(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.7233e-01 1.Y136 C = 175.0467506(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.5911e-01 1.Y136 CA = 57.52998167(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.1107e-01 1.Y136 CB = 39.06598217(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.0638e-01 1.Y136 H = 8.024391769(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.8552e-01 1.Y136 N = 120.5216427(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.9969e-01 1.E137 C = 175.0467506(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.4979e-01 1.E137 CA = 53.57972158(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.3517e-02 1.E137 CB = 30.27058792(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.7958e-01 1.E137 H = 8.246988802(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.8811e-01 1.E137 N = 125.4642903(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.6831e-01 1.E139 C = 175.3742725(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.4306e-01 1.E139 CA = 56.51102358(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.9870e-01 1.E139 CB = 30.18728964(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.1790e-01 1.E139 H = 8.507811181(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.6313e-01 1.E139 N = 121.6227774(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.8425e-01 1.A140 C = 175.3742725(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.6671e-01 1.A140 CA = 53.79964751(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.3902e-01 1.A140 CB = 20.43322372(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.3674e-01 1.A140 H = 7.982541609(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.1703e-01 1.A140 N = 131.0013613(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.8142e-02