Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.D1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.43 L 0.32 N 0.13 C 0.06 R 0.03 C Shift Assignments>> CA :: 53.77222355 CB :: 41.48824781 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 :: 8.374672999 HA :: 4.715938521 HB2 :: 2.526467616 HB3 :: 2.550699029 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.0331135 Ave N Shift Values>> N :: 120.65(3.86) 1.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> CA :: 63.78173364 CB :: 41.15041833 CG1 :: 27.23474478 CG2 :: 16.96769434 CD1 :: 16.85388963 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 :: 8.408345299 HA :: 4.248095551 HB :: 1.596760828 HG12 :: 1.598644913 HG13 :: 1.664073487 HG21 :: 0.8882527211 HG22 :: 0.8882527211 HG23 :: 0.8882527211 HD11 :: 0.6798523052 HD12 :: 0.6798523052 HD13 :: 0.6798523052 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.3250764 Ave N Shift Values>> N :: 121.46(4.28) 1.C3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 H 0.19 C 0.16 M 0.15 E 0.14 Q 0.12 C Shift Assignments>> CA :: 55.95202915 CB :: 31.02533644 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.390410666 HA :: 4.476599462 HB2 :: 3.222474172 HB3 :: 3.2590736 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 :: 118.0871355 Ave N Shift Values>> N :: 120.17(4.64) 1.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.35 C 0.15 N 0.07 I 0.03 R 0.01 C Shift Assignments>> CA :: 56.25288347 CB :: 40.86611789 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.11454666 HA :: 4.391309103 HB2 :: 2.68494013 HB3 :: 2.692455631 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 :: 123.2678991 Ave N Shift Values>> N :: 120.65(3.86) 1.M5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.48 A 0.03 C Shift Assignments>> CA :: 57.42379413 CB :: 33.81821898 CG :: 32.43583763 CE :: 17.43572269 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 :: 9.069731766 HA :: 4.333335219 HB2 :: 1.838202939 HB3 :: 2.214492386 HG2 :: 2.269816959 HG3 :: 2.305178402 HE1 :: 2.054238941 HE2 :: 2.054238941 HE3 :: 2.054238941 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 :: 130.0751807 Ave N Shift Values>> N :: 120.09(3.57) 1.C6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 Q 0.22 C 0.21 R 0.11 H 0.1 E 0.04 C Shift Assignments>> CA :: 55.54264476 CB :: 33.0668237 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.952854252 HA :: 4.658304888 HB2 :: 2.76619593 HB3 :: 3.27825234 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 :: 115.6328732 Ave N Shift Values>> N :: 120.17(4.64) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.06 C 0.03 C Shift Assignments>> CA :: 46.10086456 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.142035068 HA2 :: 3.787771623 HA3 :: 4.137535786 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.6711858 Ave N Shift Values>> N :: 109.67(3.87) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.2 G 0.13 A 0.02 C Shift Assignments>> CA :: 55.06755746 CB :: 43.53472264 CD1 :: 23.51276931 CD2 :: 24.78828785 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 :: 8.397797104 HA :: 4.213793551 HB2 :: 1.337537193 HB3 :: 1.832140104 HD11 :: 0.7906577273 HD12 :: 0.7906577273 HD13 :: 0.7906577273 HD21 :: 0.8580776831 HD22 :: 0.8580776831 HD23 :: 0.8580776831 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.9648761 Ave N Shift Values>> N :: 121.86(3.9) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.37 I 0.12 Q 0.07 M 0.01 C Shift Assignments>> CA :: 58.36970293 CB :: 29.20733588 CG :: 36.08423217 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 :: 8.107914138 HA :: 4.09188485 HB2 :: 2.121492715 HB3 :: 2.168904184 HG2 :: 2.32239552 HE21 :: 6.784922211 HE22 :: 7.441269954 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 :: 120.1712499 NE2 :: 111.9326685 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.27 A 0.01 C Shift Assignments>> CA :: 58.27839579 CB :: 69.6360991 CG2 :: 21.61527549 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 :: 8.51107242 HA :: 4.24144261 HB :: 4.134213119 HG21 :: 1.132704115 HG22 :: 1.132704115 HG23 :: 1.132704115 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 :: 116.2141369 Ave N Shift Values>> N :: 115.42(4.75) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.33 R 0.03 G 0.01 C Shift Assignments>> CA :: 56.13990579 CB :: 42.24990332 CG :: 27.3175553 CD1 :: 24.67379116 CD2 :: 23.62765221 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 :: 7.920812039 HA :: 3.945941695 HB2 :: 1.341716831 HB3 :: 1.58483399 HG :: 1.809814337 HD11 :: 0.5144209496 HD12 :: 0.5144209496 HD13 :: 0.5144209496 HD21 :: 0.6761477061 HD22 :: 0.6761477061 HD23 :: 0.6761477061 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.5821514 Ave N Shift Values>> N :: 121.86(3.9) 1.H12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.57 C 0.42 C Shift Assignments>> CA :: 56.3701336 CB :: 28.83355508 CD2 :: 120.2521461 CE1 :: 136.8981904 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 :: 8.195654843 HA :: 4.220886527 HB2 :: 3.02023592 HB3 :: 3.249362829 HD2 :: 7.229256095 HE1 :: 8.427070184 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 :: 121.0854479 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> CA :: 63.88799003 CG :: 27.57281129 CD :: 50.78314286 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.971758063 HB2 :: 2.053190854 HB3 :: 2.290375218 HG2 :: 1.837044038 HG3 :: 2.053701398 HD2 :: 3.583868315 HD3 :: 3.867089085 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.M14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 Q 0.24 M 0.18 R 0.05 E 0.05 H 0.05 I 0.01 C Shift Assignments>> CA :: 58.71143613 CB :: 33.92214008 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 :: 8.556175916 HA :: 4.454609031 HB2 :: 2.053403874 HB3 :: 2.063375793 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 :: 121.8408116 Ave N Shift Values>> N :: 120.09(3.57) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.32 N 0.26 D 0.13 L 0.06 M 0.05 H 0.04 C 0.03 R 0.03 Q 0.02 E 0.01 C Shift Assignments>> CA :: 52.7807257 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 :: 8.666689079 HA :: 4.665024199 HB2 :: 2.72073725 HB3 :: 2.782680758 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 :: 122.2571969 Ave N Shift Values>> N :: 120.65(3.86) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.24 I 0.07 C 0.03 C Shift Assignments>> CA :: 55.89148322 CB :: 17.95803389 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.570481196 HA :: 3.980835677 HB1 :: 1.48304076 HB2 :: 1.48304076 HB3 :: 1.48304076 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.1105496 Ave N Shift Values>> N :: 123.23(3.54) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.22 C 0.01 C Shift Assignments>> CA :: 52.89636002 CB :: 18.21820305 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.287461651 HA :: 4.215887104 HB1 :: 1.470735143 HB2 :: 1.470735143 HB3 :: 1.470735143 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.7312102 Ave N Shift Values>> N :: 123.23(3.54) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 Q 0.24 E 0.15 I 0.08 R 0.02 M 0.01 C Shift Assignments>> CA :: 59.93299351 CB :: 29.0946643 CG :: 34.39556012 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 :: 8.903664935 HA :: 4.125779517 HB2 :: 2.002978804 HB3 :: 2.708263372 HG2 :: 2.427344813 HG3 :: 2.427344813 HE21 :: 6.788037091 HE22 :: 7.597082572 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.2663416 NE2 :: 111.9803968 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 R 0.17 L 0.1 HN Overlap>> 1.I27 1.I27 C Shift Assignments>> CA :: 59.86381862 CB :: 27.23313274 CG :: 27.22005581 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 :: 8.529199674 HA :: 4.362628488 HB2 :: 1.5679453 HB3 :: 1.642249402 HG2 :: 1.456348035 HG3 :: 1.480951898 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 :: 123.1683856 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.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 E 0.17 R 0.13 H 0.11 Q 0.11 M 0.09 L 0.06 I 0.03 D 0.02 T 0.02 C Shift Assignments>> CA :: 57.97759892 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 :: 8.223662639 HA :: 4.105546741 HB2 :: 2.06630503 HB3 :: 2.06630503 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 :: 121.6884555 Ave N Shift Values>> N :: 120.67(3.48) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.38 I 0.11 Q 0.04 M 0.04 C Shift Assignments>> CA :: 59.41692303 CB :: 30.08737208 CG :: 36.10314155 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 :: 8.73684779 HA :: 4.098503636 HB2 :: 1.916185324 HB3 :: 1.948520856 HG2 :: 2.285921625 HG3 :: 2.291229484 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 :: 119.6327902 Ave N Shift Values>> N :: 120.67(3.48) 1.H22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 H 0.18 C Shift Assignments>> CA :: 54.34610031 CB :: 27.93509994 CD2 :: 128.1734716 CE1 :: 139.9207748 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.989840966 HA :: 4.077915965 HB2 :: 3.216749904 HB3 :: 3.275516967 HD2 :: 7.140556346 HE1 :: 7.946975462 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 :: 118.8217014 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.13 E 0.12 H 0.1 P 0.07 M 0.05 Q 0.04 I 0.04 C Shift Assignments>> CA :: 60.47875619 CB :: 31.29558423 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 :: 8.484902961 HA :: 4.455356649 HB2 :: 2.188108797 HB3 :: 2.209907933 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 :: 119.944325 Ave N Shift Values>> N :: 120.09(3.57) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.15 R 0.15 Q 0.13 H 0.13 C 0.12 M 0.11 L 0.08 D 0.04 I 0.01 N 0.01 C Shift Assignments>> CA :: 57.10106065 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 :: 8.399612608 HA :: 4.625933763 HB2 :: 1.865024448 HB3 :: 2.029172788 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 :: 122.9838915 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.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.33 C 0.02 I 0.01 C Shift Assignments>> CA :: 54.04525852 CB :: 18.39608918 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.251093844 HA :: 4.205138503 HB1 :: 1.477270703 HB2 :: 1.477270703 HB3 :: 1.477270703 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.3232663 Ave N Shift Values>> N :: 123.23(3.54) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 R 0.17 E 0.14 H 0.14 M 0.14 Q 0.06 I 0.01 C Shift Assignments>> CA :: 58.95374621 CB :: 31.75334622 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.484111142 HA :: 4.061512715 HB2 :: 2.746500638 HB3 :: 2.771019431 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 :: 117.0336114 Ave N Shift Values>> N :: 120.17(4.64) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 HN Overlap>> 1.R19 1.R19 C Shift Assignments>> CA :: 65.10878017 CB :: 38.44255881 CG1 :: 27.19842801 CG2 :: 17.25469363 CD1 :: 13.16317552 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 :: 8.551868253 HA :: 3.862854895 HB :: 1.910215607 HG12 :: 1.461490233 HG13 :: 1.473763255 HG21 :: 0.9243557824 HG22 :: 0.9243557824 HG23 :: 0.9243557824 HD11 :: 0.8548649388 HD12 :: 0.8548649388 HD13 :: 0.8548649388 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 :: 123.1341597 Ave N Shift Values>> N :: 121.46(4.28) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.31 E 0.15 C Shift Assignments>> CA :: 62.14312876 CB :: 30.14252111 CG :: 36.13167523 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 :: 7.623418621 HA :: 4.081861646 HB2 :: 1.904644202 HB3 :: 1.925237579 HG2 :: 2.24357852 HG3 :: 2.428415631 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 :: 120.2301286 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 0.72 M 0.24 C 0.01 C Shift Assignments>> CA :: 53.59494576 CB :: 18.6368166 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.958399603 HA :: 4.207945245 HB1 :: 1.408955517 HB2 :: 1.408955517 HB3 :: 1.408955517 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.4781211 Ave N Shift Values>> N :: 123.23(3.54) 1.H30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.64 C 0.35 C Shift Assignments>> CA :: 54.29179275 CB :: 29.03310767 CD2 :: 120.4436069 CE1 :: 135.9739581 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.997287939 HA :: 4.589433973 HB2 :: 3.175745993 HB3 :: 3.514625586 HD2 :: 7.466088294 HE1 :: 8.534785326 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.4974076 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.32 I 0.18 Q 0.03 M 0.02 C Shift Assignments>> CA :: 60.30997379 CB :: 29.89563151 CG :: 36.11893738 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 :: 8.17094895 HA :: 4.234245073 HB2 :: 2.067271179 HB3 :: 2.094283449 HG2 :: 2.326070215 HG3 :: 2.39923618 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 :: 121.4935178 Ave N Shift Values>> N :: 120.67(3.48) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 31 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 31 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 31 #Suspicious: 0 C Shift Results: #Consistent: 85 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 185 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 32 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0