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.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> A 0.88 M 0.09 C 0.01 C Shift Assignments>> C :: 177.2308 CA :: 52.0012 CB :: 18.8882 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.R4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 W 0.12 E 0.12 C 0.12 Q 0.12 M 0.09 K 0.06 C Shift Assignments>> C :: 175.9816 CA :: 55.7347 CB :: 30.5661 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 :: 8.3092(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 :: 121.4772(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.L5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 D 0.23 K 0.18 R 0.08 F 0.08 Y 0.05 C 0.04 N 0.03 C Shift Assignments>> C :: 177.0974 CA :: 54.8075 CB :: 42.0189 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 :: 8.2952(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 :: 124.5026(D) Ave N Shift Values>> N :: 121.86(3.9) 1.C6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 R 0.15 W 0.11 Q 0.11 I 0.1 K 0.09 E 0.08 H 0.07 L 0.06 C Shift Assignments>> C :: 174.3157 CA :: 58.3943 CB :: 27.7572 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.2171(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.1599(D) Ave N Shift Values>> N :: 120.17(4.64) 1.C7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 R 0.14 W 0.11 Q 0.11 I 0.11 K 0.1 E 0.08 H 0.07 L 0.05 C Shift Assignments>> C :: 174.2393 CA :: 58.4810 CB :: 27.8309 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.2408(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.7797(D) Ave N Shift Values>> N :: 120.17(4.64) 1.Q8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.15 H 0.14 W 0.12 C 0.11 E 0.11 R 0.1 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 175.3606 CA :: 55.5821 CB :: 29.0412 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 :: 8.3304(D) HE21 :: 7.3902(D) HE22 :: 6.7137(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 :: 123.0223(D) NE2 :: 112.8880(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 D 0.23 K 0.17 R 0.1 F 0.07 Y 0.05 C 0.04 N 0.03 C Shift Assignments>> C :: 176.4935 CA :: 54.6298 CB :: 42.1239 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 :: 8.1640(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 :: 123.5984(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 N 0.3 L 0.14 C 0.05 F 0.04 Y 0.03 K 0.02 C Shift Assignments>> CA :: 51.7344 CB :: 40.8204 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 :: 8.2973(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 :: 122.7680(D) Ave N Shift Values>> N :: 120.65(3.86) 1.P11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 179.0356 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.A12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.13 C 0.01 C Shift Assignments>> C :: 177.7121 CA :: 52.3291 CB :: 18.7075 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1508(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.2914(D) Ave N Shift Values>> N :: 123.23(3.54) 1.R13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 W 0.12 C 0.12 E 0.12 Q 0.11 M 0.09 K 0.07 HN Overlap>> 1.Y111 1.Y111 C Shift Assignments>> C :: 175.7484 CA :: 55.8427 CB :: 30.6543 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 :: 7.8072(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 :: 119.1752(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.D14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.19 N 0.15 F 0.09 Y 0.07 K 0.06 C 0.06 HN Overlap>> 1.L71 1.H94 1.L71 1.H94 C Shift Assignments>> C :: 176.0419 CA :: 54.0741 CB :: 40.8057 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 :: 8.1231(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 :: 121.1283(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.37 P 0.29 C 0.19 W 0.04 K 0.02 R 0.01 H 0.01 E 0.01 I 0.01 HN Overlap>> 1.F117 1.F117 C Shift Assignments>> C :: 176.0387 CA :: 62.2159 CB :: 32.1601 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 :: 7.8527(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 :: 120.0072(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 D 0.24 K 0.18 F 0.09 Y 0.06 R 0.05 C 0.05 N 0.04 HN Overlap>> 1.L98 1.L98 C Shift Assignments>> C :: 176.8894 CA :: 54.9666 CB :: 41.7510 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 :: 8.1280(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 :: 124.8095(D) Ave N Shift Values>> N :: 121.86(3.9) 1.C17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 C 0.16 Q 0.11 W 0.1 I 0.1 L 0.09 K 0.07 H 0.07 E 0.07 C Shift Assignments>> C :: 174.1163 CA :: 58.2046 CB :: 27.4763 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.0821(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.4882(D) Ave N Shift Values>> N :: 120.17(4.64) 1.L18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 D 0.23 K 0.18 F 0.08 R 0.08 Y 0.05 C 0.04 N 0.03 HN Overlap>> 1.L98 1.L98 C Shift Assignments>> C :: 176.1366 CA :: 54.7526 CB :: 41.9596 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 :: 8.1684(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 :: 124.9910(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 Q 0.13 W 0.13 E 0.12 C 0.12 M 0.08 K 0.06 C Shift Assignments>> CA :: 55.7506 CB :: 30.3661 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 :: 8.1144(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 :: 123.3252(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.P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.37 V 0.35 C 0.16 W 0.04 I 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 176.5951 CA :: 62.7037 CB :: 31.8067 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.V21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.39 P 0.3 C 0.18 W 0.03 K 0.01 R 0.01 HN Overlap>> 1.F30 1.F30 C Shift Assignments>> C :: 176.6726 CA :: 62.4133 CB :: 32.3860 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 :: 8.1978(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 :: 121.0404(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.66 L 0.18 R 0.06 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.7243 CA :: 44.7974 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3894(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.9755(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.1 C 0.01 HN Overlap>> 1.L55 1.L55 C Shift Assignments>> C :: 177.7700 CA :: 52.3677 CB :: 19.0174 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0459(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.8390(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.14 Q 0.14 E 0.13 W 0.13 R 0.12 K 0.11 C 0.11 M 0.05 I 0.01 C Shift Assignments>> C :: 176.5260 CA :: 56.4864 CB :: 29.6804 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 :: 8.4233(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 :: 119.7311(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.3369 CA :: 58.1614 CB :: 63.4564 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1970(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 :: 116.5136(D) Ave N Shift Values>> N :: 116.28(3.52) 1.C26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 R 0.14 W 0.12 Q 0.11 I 0.1 K 0.1 E 0.08 H 0.08 L 0.05 HN Overlap>> 1.V60 1.V60 C Shift Assignments>> C :: 174.7623 CA :: 58.4522 CB :: 27.8935 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.1942(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.7852(D) Ave N Shift Values>> N :: 120.17(4.64) 1.G27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.3061 CA :: 44.8326 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2752(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.8497(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 Q 0.14 R 0.14 C 0.13 W 0.11 K 0.09 E 0.08 M 0.08 C Shift Assignments>> CA :: 53.6921 CB :: 29.8391 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 :: 8.0071(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 :: 121.5677(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.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.38 V 0.34 C 0.16 W 0.03 I 0.02 R 0.01 K 0.01 C Shift Assignments>> C :: 176.3050 CA :: 62.7693 CB :: 31.7257 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.F30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.27 C 0.16 I 0.1 D 0.05 L 0.04 N 0.02 E 0.01 HN Overlap>> 1.V21 1.V21 C Shift Assignments>> C :: 175.6955 CA :: 57.6656 CB :: 39.1047 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 :: 8.3073(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 :: 121.0283(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.3373 CA :: 57.8345 CB :: 63.5315 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1217(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.4557(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.71 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.6682 CA :: 44.9194 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.5073(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.2617(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.5183 CA :: 58.0046 CB :: 63.5221 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0521(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 :: 115.4977(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 D 0.21 K 0.19 F 0.09 R 0.07 Y 0.06 C 0.05 N 0.03 C Shift Assignments>> C :: 177.7116 CA :: 55.1402 CB :: 41.9044 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 :: 8.2537(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 :: 124.0522(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.73 L 0.15 R 0.03 C 0.03 F 0.01 D 0.01 HN Overlap>> 1.G50 1.G50 C Shift Assignments>> C :: 173.9869 CA :: 44.9560 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2198(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.2674(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.4494 CA :: 61.5464 CB :: 69.6061 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 :: 7.8670(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.7183(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 D 0.22 K 0.18 F 0.08 R 0.08 Y 0.05 C 0.04 N 0.03 HN Overlap>> 1.A85 1.A85 C Shift Assignments>> C :: 177.1257 CA :: 54.9037 CB :: 41.9543 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 :: 8.1771(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 :: 124.4477(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.7867 CA :: 57.9051 CB :: 63.5268 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1321(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 :: 116.6733(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 56.1052 CB :: 62.9212 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1287(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.7560(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.16 C 0.15 M 0.14 V 0.1 K 0.09 R 0.09 H 0.08 W 0.06 E 0.05 Q 0.02 C Shift Assignments>> C :: 176.4593 CB :: 31.7684 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.S41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 56.1360 CB :: 62.9295 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3376(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.9269(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.39 V 0.35 C 0.15 W 0.03 I 0.01 C Shift Assignments>> C :: 176.6260 CA :: 62.9324 CB :: 31.7724 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.S43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S101 1.S101 C Shift Assignments>> C :: 173.8603 CA :: 57.9072 CB :: 63.4739 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1601(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 :: 115.7307(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.09 C 0.01 C Shift Assignments>> C :: 177.0939 CA :: 51.9942 CB :: 18.9962 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1328(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.1889(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 V 0.15 K 0.12 W 0.11 R 0.09 M 0.07 H 0.07 E 0.06 Q 0.03 P 0.01 HN Overlap>> 1.L71 1.Q87 1.H94 1.R72 1.L71 1.Q87 1.H94 1.R72 C Shift Assignments>> CA :: 59.5870 CB :: 32.1795 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 :: 7.9849(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 :: 121.1423(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.39 V 0.36 C 0.15 W 0.03 I 0.01 C Shift Assignments>> C :: 176.7464 CA :: 62.9187 CB :: 31.9526 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.T47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.6352 CA :: 61.6964 CB :: 69.4904 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 :: 8.1160(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 :: 114.5830(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 N 0.2 L 0.18 F 0.08 Y 0.06 C 0.05 K 0.04 C Shift Assignments>> C :: 175.8756 CA :: 53.5631 CB :: 40.6991 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 :: 8.1742(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 :: 122.4784(D) Ave N Shift Values>> N :: 120.65(3.86) 1.H49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 R 0.14 E 0.14 W 0.13 Q 0.13 C 0.12 K 0.07 M 0.06 HN Overlap>> 1.F73 1.F73 C Shift Assignments>> C :: 175.8226 CA :: 56.5719 CB :: 30.2132 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 :: 8.1450(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 :: 120.8915(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 HN Overlap>> 1.G35 1.G35 C Shift Assignments>> C :: 174.0146 CA :: 45.0962 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2489(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.3094(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.82 M 0.15 C 0.01 C Shift Assignments>> C :: 177.5060 CA :: 52.6192 CB :: 18.6657 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9547(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.6427(D) Ave N Shift Values>> N :: 123.23(3.54) 1.H52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 R 0.14 E 0.13 Q 0.13 W 0.13 C 0.12 K 0.08 M 0.06 HN Overlap>> 1.S75 1.S75 C Shift Assignments>> C :: 175.4261 CA :: 56.2768 CB :: 30.1145 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 :: 8.1417(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 :: 118.0478(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 D 0.23 K 0.18 F 0.09 Y 0.06 R 0.06 C 0.05 N 0.03 C Shift Assignments>> C :: 177.1825 CA :: 55.0278 CB :: 41.8067 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 :: 7.8182(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 :: 122.9436(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.T97 1.T97 C Shift Assignments>> C :: 174.5316 CA :: 58.0924 CB :: 63.3904 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1616(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 :: 116.2261(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 D 0.23 K 0.18 F 0.09 Y 0.06 R 0.05 C 0.05 N 0.04 HN Overlap>> 1.A23 1.A23 C Shift Assignments>> C :: 177.2386 CA :: 55.0303 CB :: 41.7319 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 :: 8.1068(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 :: 123.8226(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 E 0.13 W 0.13 Q 0.13 C 0.12 M 0.08 K 0.06 C Shift Assignments>> C :: 176.3937 CA :: 55.9938 CB :: 30.3027 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 :: 8.0385(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 :: 120.6317(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.G57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.61 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.3737 CA :: 44.6921 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1578(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.3984(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 L 0.2 N 0.17 K 0.07 F 0.05 C 0.05 Y 0.03 R 0.01 C Shift Assignments>> CA :: 52.6468 CB :: 41.2828 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 :: 7.8325(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 :: 122.4402(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.34 V 0.33 C 0.18 W 0.04 I 0.02 R 0.01 K 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 176.5674 CA :: 62.4913 CB :: 31.6799 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.V60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.39 P 0.27 C 0.2 W 0.04 K 0.02 R 0.01 H 0.01 E 0.01 HN Overlap>> 1.C26 1.C26 C Shift Assignments>> C :: 175.9134 CA :: 62.1891 CB :: 32.3946 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 :: 8.1288(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 :: 120.7150(D) Ave N Shift Values>> N :: 121.14(4.54) 1.C61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 R 0.13 Q 0.12 W 0.12 K 0.11 E 0.09 H 0.08 I 0.08 L 0.05 M 0.01 C Shift Assignments>> C :: 174.0454 CA :: 58.0892 CB :: 27.9934 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.2359(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.4788(D) Ave N Shift Values>> N :: 120.17(4.64) 1.A62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> C :: 177.0080 CA :: 52.3646 CB :: 18.8851 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2689(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.2757(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.28 C 0.15 I 0.09 D 0.07 L 0.05 N 0.02 C Shift Assignments>> C :: 175.4902 CA :: 57.5704 CB :: 39.3420 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 :: 8.0936(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 :: 119.3000(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.1551 CA :: 57.6065 CB :: 63.7437 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0296(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.3340(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.8206 CA :: 58.1327 CB :: 63.4481 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2174(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.2370(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.08 C 0.01 C Shift Assignments>> C :: 177.4483 CA :: 52.1704 CB :: 19.1854 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0912(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.4155(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.34 L 0.28 R 0.21 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> CA :: 44.1938 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9448(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.9498(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.4 V 0.35 C 0.15 W 0.03 I 0.01 C Shift Assignments>> C :: 176.9248 CA :: 62.9780 CB :: 31.7796 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.C69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 R 0.15 I 0.12 W 0.11 Q 0.11 K 0.09 E 0.08 H 0.07 L 0.05 C Shift Assignments>> C :: 174.4266 CA :: 58.5670 CB :: 27.7909 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.3058(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.0649(D) Ave N Shift Values>> N :: 120.17(4.64) 1.A70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.12 C 0.01 HN Overlap>> 1.L93 1.L93 C Shift Assignments>> C :: 177.4680 CA :: 52.4712 CB :: 18.8423 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1756(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.4715(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 D 0.23 K 0.18 F 0.09 R 0.07 Y 0.06 C 0.05 N 0.03 HN Overlap>> 1.V45 1.V45 1.H94 1.R72 1.D14 1.H94 1.R72 1.D14 C Shift Assignments>> C :: 177.1141 CA :: 54.9946 CB :: 41.8718 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 :: 8.0379(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 :: 121.1426(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 W 0.13 E 0.12 Q 0.12 C 0.12 M 0.09 K 0.06 HN Overlap>> 1.V45 1.L71 1.V45 1.L71 C Shift Assignments>> C :: 175.6450 CA :: 55.8033 CB :: 30.4992 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 :: 7.9855(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 :: 121.1342(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.F73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.27 C 0.15 D 0.08 I 0.07 L 0.06 N 0.03 HN Overlap>> 1.H49 1.H49 C Shift Assignments>> C :: 175.6214 CA :: 57.3130 CB :: 39.3072 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 :: 8.0832(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 :: 120.9153(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.9694 CA :: 61.3308 CB :: 69.6228 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 :: 7.9288(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 :: 115.6183(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.H52 1.H52 C Shift Assignments>> C :: 173.9808 CA :: 58.0302 CB :: 63.4839 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1377(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.0393(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> C :: 177.4031 CA :: 52.3684 CB :: 18.8284 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1693(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.8546(D) Ave N Shift Values>> N :: 123.23(3.54) 1.R77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 W 0.13 E 0.13 Q 0.13 C 0.12 M 0.08 K 0.06 C Shift Assignments>> C :: 176.0236 CA :: 55.8916 CB :: 30.3559 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 :: 8.0639(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 :: 120.3331(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.R78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 W 0.13 E 0.13 Q 0.13 C 0.12 M 0.08 K 0.06 HN Overlap>> 1.L108 1.L108 C Shift Assignments>> C :: 176.0418 CA :: 55.8878 CB :: 30.3636 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 :: 8.2297(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 :: 122.9094(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.M79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.16 C 0.15 R 0.12 H 0.11 Q 0.09 W 0.07 E 0.05 C Shift Assignments>> C :: 175.9828 CA :: 55.0506 CB :: 32.3985 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 :: 8.3333(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 :: 122.3221(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 Q 0.14 R 0.13 E 0.13 W 0.13 C 0.11 K 0.09 M 0.06 C Shift Assignments>> C :: 176.3051 CA :: 56.2797 CB :: 29.9516 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 :: 8.3737(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 :: 122.4737(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.3516 CA :: 61.5949 CB :: 69.5718 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 :: 8.1225(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 :: 115.2516(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.2122 CA :: 61.6039 CB :: 69.5746 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 :: 8.0385(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 :: 117.0635(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.39 P 0.26 C 0.2 W 0.04 K 0.02 R 0.01 H 0.01 E 0.01 C Shift Assignments>> C :: 175.5371 CA :: 62.1592 CB :: 32.4037 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 :: 8.0639(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 :: 122.7883(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.6 D 0.13 C 0.09 Y 0.05 F 0.05 L 0.03 M 0.01 C Shift Assignments>> C :: 174.7506 CA :: 52.6485 CB :: 38.4626 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 :: 8.3525(D) HD21 :: 7.4333(D) HD22 :: 6.7684(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 :: 122.6347(D) ND2 :: 113.0599(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.83 M 0.14 C 0.01 HN Overlap>> 1.L37 1.L37 C Shift Assignments>> C :: 177.2481 CA :: 52.6323 CB :: 18.7319 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1381(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.5333(D) Ave N Shift Values>> N :: 123.23(3.54) 1.H86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 Q 0.13 W 0.13 E 0.13 C 0.12 M 0.07 K 0.07 C Shift Assignments>> C :: 174.9860 CA :: 55.8977 CB :: 30.2322 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 :: 8.0481(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 :: 117.7970(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 H 0.15 K 0.14 W 0.12 R 0.11 C 0.11 E 0.11 M 0.04 L 0.01 HN Overlap>> 1.L100 1.V45 1.L100 1.V45 C Shift Assignments>> C :: 175.0976 CA :: 55.3184 CB :: 29.2868 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 :: 7.9353(D) HE21 :: 7.3590(D) HE22 :: 6.7137(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 :: 121.2427(D) NE2 :: 112.5598(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.36 Y 0.21 C 0.2 F 0.16 E 0.02 HN Overlap>> 1.K95 1.K95 C Shift Assignments>> C :: 175.7342 CA :: 60.6114 CB :: 38.0992 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 :: 8.0754(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 :: 123.0411(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 L 0.2 N 0.18 K 0.06 F 0.05 C 0.05 Y 0.03 R 0.01 C Shift Assignments>> CA :: 52.5002 CB :: 41.2759 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 :: 8.2404(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 :: 128.4669(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.35 P 0.34 C 0.17 W 0.04 I 0.01 R 0.01 K 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 176.3624 CA :: 62.5335 CB :: 31.8368 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.K91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 K 0.18 C 0.16 Q 0.12 R 0.1 H 0.09 W 0.06 E 0.04 V 0.01 C Shift Assignments>> C :: 176.3737 CA :: 56.1834 CB :: 32.7408 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 :: 8.2177(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 :: 121.9434(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.38 P 0.24 C 0.21 W 0.04 K 0.02 R 0.02 H 0.01 E 0.01 M 0.01 C Shift Assignments>> C :: 175.4759 CA :: 61.9791 CB :: 32.3941 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 :: 8.0255(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 :: 122.2848(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 D 0.25 K 0.16 R 0.08 F 0.07 Y 0.05 C 0.04 N 0.04 HN Overlap>> 1.A70 1.A70 C Shift Assignments>> C :: 176.5446 CA :: 54.4768 CB :: 42.0175 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 :: 8.1696(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 :: 126.3624(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 R 0.15 W 0.12 C 0.12 E 0.12 Q 0.11 M 0.1 K 0.07 HN Overlap>> 1.V45 1.L71 1.V45 1.L71 1.D14 1.D14 C Shift Assignments>> CA :: 55.9185 CB :: 30.7462 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 :: 8.0819(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 :: 121.2001(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 K 0.18 C 0.15 Q 0.12 R 0.1 H 0.09 W 0.06 E 0.04 V 0.01 HN Overlap>> 1.I88 1.I88 C Shift Assignments>> C :: 176.4701 CA :: 55.9861 CB :: 32.7369 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 :: 8.1533(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 :: 123.1143(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 W 0.13 E 0.13 C 0.12 Q 0.12 M 0.09 K 0.06 C Shift Assignments>> C :: 176.2436 CA :: 56.0024 CB :: 30.5267 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 :: 8.4169(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 :: 122.9031(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.T97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.S54 1.S54 C Shift Assignments>> C :: 174.2614 CA :: 61.6248 CB :: 69.4119 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 :: 8.0860(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 :: 116.2147(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 D 0.21 K 0.18 R 0.1 F 0.08 Y 0.05 C 0.04 N 0.02 HN Overlap>> 1.L18 1.L18 1.L16 1.L16 C Shift Assignments>> C :: 177.4641 CA :: 55.0274 CB :: 42.1130 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 :: 8.1481(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 :: 124.9065(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.72 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.1091 CA :: 44.9370 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2384(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.4962(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 D 0.2 K 0.19 F 0.09 R 0.08 Y 0.06 C 0.05 N 0.02 HN Overlap>> 1.Q87 1.Q87 C Shift Assignments>> C :: 177.7803 CA :: 55.2508 CB :: 41.9553 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 :: 7.9355(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 :: 121.3383(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S43 1.S43 C Shift Assignments>> C :: 174.0019 CA :: 58.4762 CB :: 63.3006 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1467(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 :: 115.7189(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 177.3858 CA :: 52.1536 CB :: 18.9266 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0243(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.9830(D) Ave N Shift Values>> N :: 123.23(3.54) 1.M103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 Q 0.18 K 0.18 C 0.16 R 0.07 H 0.07 W 0.04 E 0.02 V 0.01 HN Overlap>> 1.E109 1.F112 1.E109 1.F112 C Shift Assignments>> C :: 175.9850 CA :: 55.4134 CB :: 33.2249 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 :: 7.9158(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 :: 119.1045(D) Ave N Shift Values>> N :: 120.09(3.57) 1.S104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.6094 CA :: 57.4867 CB :: 64.0290 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5024(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.8583(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.4534 CA :: 63.4850 CB :: 68.9221 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 :: 8.3475(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 :: 115.8344(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.1815 CA :: 63.3452 CB :: 68.9237 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 :: 7.8765(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 :: 115.3754(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.26 F 0.16 L 0.15 Y 0.14 N 0.13 C 0.08 K 0.02 I 0.01 C Shift Assignments>> C :: 175.0758 CA :: 55.2738 CB :: 40.1435 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 :: 7.9260(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 :: 123.4407(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 L 0.21 D 0.14 F 0.14 Y 0.1 R 0.06 C 0.06 N 0.01 I 0.01 HN Overlap>> 1.R78 1.R78 C Shift Assignments>> C :: 177.8125 CA :: 56.4897 CB :: 41.7715 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 :: 8.1538(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 :: 122.9592(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.14 E 0.14 K 0.13 C 0.13 Q 0.13 H 0.12 R 0.1 I 0.03 M 0.03 HN Overlap>> 1.F112 1.M103 1.F112 1.M103 C Shift Assignments>> C :: 177.6124 CA :: 57.8428 CB :: 29.3107 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 :: 7.9527(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 :: 119.1152(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.71 M 0.25 C 0.01 C Shift Assignments>> C :: 178.1934 CA :: 53.4697 CB :: 18.4385 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6405(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.9944(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 I 0.23 F 0.21 C 0.2 E 0.04 HN Overlap>> 1.R13 1.R13 C Shift Assignments>> C :: 176.4217 CA :: 59.2771 CB :: 38.2390 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 :: 7.8113(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 :: 119.1656(D) Ave N Shift Values>> N :: 120.52(4.2) 1.F112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.26 C 0.18 I 0.15 E 0.02 D 0.02 L 0.02 N 0.01 HN Overlap>> 1.E109 1.E109 1.M103 1.M103 C Shift Assignments>> C :: 176.2667 CA :: 58.4638 CB :: 38.7388 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 :: 7.8990(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 :: 119.0356(D) Ave N Shift Values>> N :: 120.45(4.18) 1.K113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.17 C 0.17 M 0.15 R 0.11 H 0.09 W 0.08 Q 0.08 E 0.06 V 0.03 C Shift Assignments>> C :: 176.5510 CA :: 57.3796 CB :: 32.4603 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 :: 7.6831(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 :: 121.1173(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.19 N 0.12 F 0.12 Y 0.09 C 0.06 K 0.06 C Shift Assignments>> C :: 176.2379 CA :: 54.6325 CB :: 40.7285 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 :: 7.9804(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 :: 119.7949(D) Ave N Shift Values>> N :: 120.65(3.86) 1.C115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 I 0.16 R 0.15 W 0.11 Q 0.09 K 0.07 E 0.07 H 0.06 L 0.05 C Shift Assignments>> C :: 174.4435 CA :: 58.9928 CB :: 27.5795 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.8190(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.0765(D) Ave N Shift Values>> N :: 120.17(4.64) 1.L116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 D 0.22 K 0.19 F 0.1 Y 0.07 R 0.05 C 0.05 N 0.03 C Shift Assignments>> C :: 176.7339 CA :: 55.2290 CB :: 41.7135 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 :: 7.9358(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 :: 123.0176(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.26 C 0.16 I 0.08 D 0.06 L 0.04 N 0.03 E 0.01 HN Overlap>> 1.V15 1.V15 C Shift Assignments>> C :: 175.0213 CA :: 57.3581 CB :: 38.9954 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 :: 7.8616(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 :: 119.9561(D) Ave N Shift Values>> N :: 120.45(4.18) 1.K118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.18 C 0.15 Q 0.14 R 0.09 H 0.09 W 0.05 E 0.04 V 0.01 C Shift Assignments>> C :: 175.0911 CA :: 55.7178 CB :: 32.8567 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 :: 7.7849(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 :: 122.6378(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 N 0.21 L 0.17 F 0.08 Y 0.06 C 0.06 K 0.03 C Shift Assignments>> C :: 174.3233 CA :: 53.5805 CB :: 40.6293 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 :: 7.7596(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 :: 121.8445(D) Ave N Shift Values>> N :: 120.65(3.86) 1.W120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 E 0.14 C 0.14 H 0.12 Q 0.11 R 0.11 K 0.1 M 0.03 I 0.03 V 0.01 C Shift Assignments>> CA :: 58.1627 CB :: 29.7317 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.2488(D) HE1 :: 9.8737(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 125.4071(D) NE1 :: 128.8158(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) ########################################################################### Overall Results: #Consistent: 12 #Clerical: 108 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 117 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 120 #Suspicious: 0 C Shift Results: #Consistent: 332 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 115 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 112 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R4 H = 8.3092(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.0968e-01 1.R4 N = 121.4772(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.5400e-01 1.L5 H = 8.2952(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.2010e-01 1.L5 N = 124.5026(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.9803e-01 1.C6 H = 8.2171(D), Expected = 8.39, Std = 0.6700, ChiSquare = 7.9636e-01 1.C6 N = 120.1599(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.9826e-01 1.C7 H = 8.2408(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.2378e-01 1.C7 N = 121.7797(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.2865e-01 1.Q8 H = 8.3304(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.5157e-01 1.Q8 HE21 = 7.3902(D), Expected = 7.24, Std = 0.4500, ChiSquare = 7.3855e-01 1.Q8 HE22 = 6.7137(D), Expected = 7.02, Std = 0.4400, ChiSquare = 4.8634e-01 1.Q8 N = 123.0223(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.8426e-01 1.Q8 NE2 = 112.8880(D), Expected = 111.87, Std = 1.7200, ChiSquare = 5.5394e-01 1.L9 H = 8.1640(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.1912e-01 1.L9 N = 123.5984(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.5578e-01 1.D10 H = 8.2973(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.8253e-01 1.D10 N = 122.7680(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.8321e-01 1.A12 H = 8.1508(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.3465e-01 1.A12 N = 122.2914(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.9090e-01 1.R13 H = 7.8072(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.7801e-01 1.R13 N = 119.1752(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.5884e-01 1.D14 H = 8.1231(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.4727e-01 1.D14 N = 121.1283(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.0139e-01 1.V15 H = 7.8527(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.1396e-01 1.V15 N = 120.0072(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.0296e-01 1.L16 H = 8.1280(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.7531e-01 1.L16 N = 124.8095(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.4948e-01 1.C17 H = 8.0821(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.4584e-01 1.C17 N = 120.4882(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.4533e-01 1.L18 H = 8.1684(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.2450e-01 1.L18 N = 124.9910(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.2208e-01 1.R19 H = 8.1144(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.3687e-01 1.R19 N = 123.3252(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.9259e-01 1.V21 H = 8.1978(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.9055e-01 1.V21 N = 121.0404(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.8250e-01 1.G22 H = 8.3894(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2719e-01 1.G22 N = 112.9755(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.9303e-01 1.A23 H = 8.0459(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.9731e-01 1.A23 N = 123.8390(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.6341e-01 1.E24 H = 8.4233(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.7435e-01 1.E24 N = 119.7311(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.8731e-01 1.S25 H = 8.1970(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.8812e-01 1.S25 N = 116.5136(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.4709e-01 1.C26 H = 8.1942(D), Expected = 8.39, Std = 0.6700, ChiSquare = 7.7010e-01 1.C26 N = 120.7852(D), Expected = 120.17, Std = 4.6400, ChiSquare = 8.9452e-01 1.G27 H = 8.2752(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3281e-01 1.G27 N = 110.8497(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.6049e-01 1.R28 H = 8.0071(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.0261e-01 1.R28 N = 121.5677(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.3475e-01 1.F30 H = 8.3073(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.4165e-01 1.F30 N = 121.0283(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.8996e-01 1.S31 H = 8.1217(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.8846e-01 1.S31 N = 118.4557(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.3651e-01 1.G32 H = 7.5073(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.0562e-01 1.G32 N = 110.2617(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.7848e-01 1.S33 H = 8.0521(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.9930e-01 1.S33 N = 115.4977(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.2412e-01 1.L34 H = 8.2537(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.7091e-01 1.L34 N = 124.0522(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.7405e-01 1.G35 H = 8.2198(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.6537e-01 1.G35 N = 109.2674(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.1714e-01 1.T36 H = 7.8670(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.4743e-01 1.T36 N = 113.7183(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.2015e-01 1.L37 H = 8.1771(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.3514e-01 1.L37 N = 124.4477(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.0700e-01 1.S38 H = 8.1321(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.0206e-01 1.S38 N = 116.6733(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.1104e-01 1.S39 H = 8.1287(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.9761e-01 1.S39 N = 118.7560(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.8180e-01 1.S41 H = 8.3376(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.2223e-01 1.S41 N = 117.9269(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.3988e-01 1.S43 H = 8.1601(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.3896e-01 1.S43 N = 115.7307(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.7599e-01 1.A44 H = 8.1328(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.1082e-01 1.A44 N = 126.1889(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.0324e-01 1.V45 H = 7.9849(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.4884e-01 1.V45 N = 121.1423(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.9960e-01 1.T47 H = 8.1160(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.4148e-01 1.T47 N = 114.5830(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.6013e-01 1.D48 H = 8.1742(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.1488e-01 1.D48 N = 122.4784(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.3573e-01 1.H49 H = 8.1450(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.8889e-01 1.H49 N = 120.8915(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.6389e-01 1.G50 H = 8.2489(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.0071e-01 1.G50 N = 109.3094(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.2576e-01 1.A51 H = 7.9547(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.8266e-01 1.A51 N = 123.6427(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.0719e-01 1.H52 H = 8.1417(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.8506e-01 1.H52 N = 118.0478(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.8140e-01 1.L53 H = 7.8182(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.2638e-01 1.L53 N = 122.9436(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8113e-01 1.S54 H = 8.1616(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.4095e-01 1.S54 N = 116.2261(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.8778e-01 1.L55 H = 8.1068(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.4967e-01 1.L55 N = 123.8226(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.1480e-01 1.R56 H = 8.0385(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.4115e-01 1.R56 N = 120.6317(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.6352e-01 1.G57 H = 8.1578(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.9107e-01 1.G57 N = 109.3984(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.4405e-01 1.L58 H = 7.8325(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.4084e-01 1.L58 N = 122.4402(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.8174e-01 1.V60 H = 8.1288(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.0987e-01 1.V60 N = 120.7150(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.2542e-01 1.C61 H = 8.2359(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.1809e-01 1.C61 N = 123.4788(D), Expected = 120.17, Std = 4.6400, ChiSquare = 4.7578e-01 1.A62 H = 8.2689(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0858e-01 1.A62 N = 127.2757(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.5310e-01 1.F63 H = 8.0936(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.1138e-01 1.F63 N = 119.3000(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.8322e-01 1.S64 H = 8.0296(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.7127e-01 1.S64 N = 117.3340(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.6461e-01 1.S65 H = 8.2174(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.1550e-01 1.S65 N = 118.2370(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.7823e-01 1.A66 H = 8.0912(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.5611e-01 1.A66 N = 125.4155(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.3699e-01 1.G67 H = 7.9448(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.5344e-01 1.G67 N = 107.9498(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.5668e-01 1.C69 H = 8.3058(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.9999e-01 1.C69 N = 120.0649(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.8193e-01 1.A70 H = 8.1756(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6756e-01 1.A70 N = 126.4715(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.5984e-01 1.L71 H = 8.0379(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.6758e-01 1.L71 N = 121.1426(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.5405e-01 1.R72 H = 7.9855(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.7652e-01 1.R72 N = 121.1342(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.2764e-01 1.F73 H = 8.0832(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.0065e-01 1.F73 N = 120.9153(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.1137e-01 1.T74 H = 7.9288(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.1571e-01 1.T74 N = 115.6183(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.6670e-01 1.S75 H = 8.1377(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.0941e-01 1.S75 N = 118.0393(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.1721e-01 1.A76 H = 8.1693(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.5919e-01 1.A76 N = 125.8546(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.5844e-01 1.R77 H = 8.0639(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.7282e-01 1.R77 N = 120.3331(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.9904e-01 1.R78 H = 8.2297(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.8653e-01 1.R78 N = 122.9094(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.6650e-01 1.M79 H = 8.3333(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.0277e-01 1.M79 N = 122.3221(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.3181e-01 1.E80 H = 8.3737(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.4096e-01 1.E80 N = 122.4737(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.0425e-01 1.T81 H = 8.1225(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.4969e-01 1.T81 N = 115.2516(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.7172e-01 1.T82 H = 8.0385(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.4518e-01 1.T82 N = 117.0635(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.2934e-01 1.V83 H = 8.0639(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.3577e-01 1.V83 N = 122.7883(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.1656e-01 1.N84 H = 8.3525(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.8417e-01 1.N84 HD21 = 7.4333(D), Expected = 7.35, Std = 0.4800, ChiSquare = 8.6223e-01 1.N84 HD22 = 6.7684(D), Expected = 7.14, Std = 0.4900, ChiSquare = 4.4823e-01 1.N84 N = 122.6347(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.5795e-01 1.N84 ND2 = 113.0599(D), Expected = 112.75, Std = 2.2300, ChiSquare = 8.8948e-01 1.A85 H = 8.1381(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.1783e-01 1.A85 N = 124.5333(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.1275e-01 1.H86 H = 8.0481(D), Expected = 8.24, Std = 0.6800, ChiSquare = 7.7779e-01 1.H86 N = 117.7970(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.3603e-01 1.Q87 H = 7.9353(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.2942e-01 1.Q87 HE21 = 7.3590(D), Expected = 7.24, Std = 0.4500, ChiSquare = 7.9144e-01 1.Q87 HE22 = 6.7137(D), Expected = 7.02, Std = 0.4400, ChiSquare = 4.8634e-01 1.Q87 N = 121.2427(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.0710e-01 1.Q87 NE2 = 112.5598(D), Expected = 111.87, Std = 1.7200, ChiSquare = 6.8839e-01 1.I88 H = 8.0754(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.6350e-01 1.I88 N = 123.0411(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.1182e-01 1.L89 H = 8.2404(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.8723e-01 1.L89 N = 128.4669(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.0251e-02 1.K91 H = 8.2177(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.6318e-01 1.K91 N = 121.9434(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.1268e-01 1.V92 H = 8.0255(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.9301e-01 1.V92 N = 122.2848(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.0092e-01 1.L93 H = 8.1696(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.2596e-01 1.L93 N = 126.3624(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.4831e-01 1.H94 H = 8.0819(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.1615e-01 1.H94 N = 121.2001(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.0578e-01 1.K95 H = 8.1533(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.5123e-01 1.K95 N = 123.1143(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.8399e-01 1.R96 H = 8.4169(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.7182e-01 1.R96 N = 122.9031(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.6766e-01 1.T97 H = 8.0860(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.0383e-01 1.T97 N = 116.2147(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.6713e-01 1.L98 H = 8.1481(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.9973e-01 1.L98 N = 124.9065(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.3471e-01 1.G99 H = 8.2384(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.8793e-01 1.G99 N = 109.4962(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.6418e-01 1.L100 H = 7.9355(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5049e-01 1.L100 N = 121.3383(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.9359e-01 1.S101 H = 8.1467(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.2125e-01 1.S101 N = 115.7189(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.7335e-01 1.A102 H = 8.0243(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.6965e-01 1.A102 N = 124.9830(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.2046e-01 1.M103 H = 7.9158(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.6619e-01 1.M103 N = 119.1045(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.8251e-01 1.S104 H = 8.5024(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.0621e-01 1.S104 N = 117.8583(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.5388e-01 1.T105 H = 8.3475(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.6235e-01 1.T105 N = 115.8344(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.3048e-01 1.T106 H = 7.8765(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.5768e-01 1.T106 N = 115.3754(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.9251e-01 1.D107 H = 7.9260(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.0793e-01 1.D107 N = 123.4407(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.6969e-01 1.L108 H = 8.1538(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.0668e-01 1.L108 N = 122.9592(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.7806e-01 1.E109 H = 7.9527(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.2250e-01 1.E109 N = 119.1152(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.5503e-01 1.A110 H = 7.6405(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.5108e-01 1.A110 N = 121.9944(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.2706e-01 1.Y111 H = 7.8113(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.8590e-01 1.Y111 N = 119.1656(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.4709e-01 1.F112 H = 7.8990(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.2199e-01 1.F112 N = 119.0356(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.3508e-01 1.K113 H = 7.6831(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.9820e-01 1.K113 N = 121.1173(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.8576e-01 1.D114 H = 7.9804(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.6985e-01 1.D114 N = 119.7949(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.2468e-01 1.C115 H = 7.8190(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.9408e-01 1.C115 N = 118.0765(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.5186e-01 1.L116 H = 7.9358(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5083e-01 1.L116 N = 123.0176(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.6660e-01 1.F117 H = 7.8616(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.8880e-01 1.F117 N = 119.9561(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.0594e-01 1.K118 H = 7.7849(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.9957e-01 1.K118 N = 122.6378(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.7363e-01 1.D119 H = 7.7596(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.4264e-01 1.D119 N = 121.8445(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.5697e-01 1.W120 H = 7.2488(D), Expected = 8.29, Std = 0.7900, ChiSquare = 1.8751e-01 1.W120 HE1 = 9.8737(D), Expected = 10.08, Std = 0.6600, ChiSquare = 7.5460e-01 1.W120 N = 125.4071(D), Expected = 121.68, Std = 4.1800, ChiSquare = 3.7258e-01 1.W120 NE1 = 128.8158(D), Expected = 129.32, Std = 2.1100, ChiSquare = 8.1114e-01